SCHEMBL468132

SCHEMBL468132

[c]1nc(-c2ccc(C3CC3)cc2)cs1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 4/20 0.35
NOTUM Q6P988 3/20 0.35
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
MAPT P10636 3/20 0.34
ESR2 Q92731 3/20 0.32
CYP1A2 P05177 3/20 0.32
CYP2C9 P11712 3/20 0.32
CYP2C19 P33261 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP3A4 P08684 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
S1PR1 P21453 1/20 0.31
DHODH Q02127 1/20 0.31
POLB P06746 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17626049 0.77
SCHEMBL1916309 0.73 KMT2A (0.47) NOTUMNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL17626009 0.73 ALDH1A1 (0.40) NPC1RAB9AMAPTCYP1A2CYP2C9
SCHEMBL5540279 0.73 RAB9A (0.47) NOTUMNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL468044 0.73 RAB9A (0.41) NOTUMNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL10515566 0.73 LTA4H (0.46) NPC1RAB9AMAPTESR2SMN1; SMN2
SCHEMBL443517 0.72 LMNA (0.43) NOTUMNPC1RAB9AMAPTCYP1A2
SCHEMBL70645 0.72 ALDH1A1 (0.42) NOTUMNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL468050 0.70 KIF11 (0.50) MEN1KMT2AL3MBTL1
SCHEMBL1915529 0.70 METAP2 (0.44) NPC1RAB9AMAPTSMN1; SMN2MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 89 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4101297-A1 COMPOSITIONS, FORMULATIONS AND METHODS FOR TREATING OCULAR DISEASES Aerpio Pharmaceuticals, Inc. (US) 2022-12-14 EP disclosed
CN-114939117-A Method of treating vascular leak syndrome 视点制药公司 2022-08-26 CN disclosed
US-20220211675-A1 TIE-2 ACTIVATORS TARGETING THE SCHLEMM'S CANAL EyePoint, Inc. 2022-07-07 US disclosed
US-20220117946-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE EyePoint Pharmaceuticals, Inc. 2022-04-21 US disclosed
CN-114269341-A Tie-2 activator targeting Schlemm's canal 视点制药公司 2022-04-01 CN disclosed
US-11253502-B2 Tie-2 activators targeting the Schlemm's canal EyePoint Pharmaceuticals, Inc. (US) 2022-02-22 US disclosed
US-20220016086-A1 COMPOSITIONS AND METHODS FOR TREATING OCULAR EDEMA, NEOVASCULARIZATION AND RELATED DISEASES EyePoint Pharmaceuticals, Inc. 2022-01-20 US disclosed
US-20200361926-A1 COMPOSITIONS, FORMULATIONS AND METHODS FOR TREATING OCULAR DISEASES EyePoint Pharmaceuticals, Inc. 2020-11-19 US disclosed
WO-2020223209-A1 TIE-2 ACTIVATORS TARGETING THE SCHLEMM'S CANAL Aerpio Pharmaceuticals, Inc. (US) 2020-11-05 WO disclosed
US-20200338048-A1 TIE-2 ACTIVATORS TARGETING THE SCHLEMM'S CANAL EyePoint, Inc. 2020-10-29 US disclosed
US-20110268694-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME EyePoint Pharmaceuticals, Inc. 2011-11-03 US disclosed
US-20110253725-A1 MULTI-PORT BEVERAGE AND FOOD CONTAINERS KILLIAN WILLIAM 2011-10-20 US disclosed
WO-2011005330-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASTASIS OF CANCER CELLS AKEBIA THERAPEUTICS INC. (US) 2011-01-13 WO disclosed
WO-2010081172-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME AKEBIA THERAPEUTICS INC. (US) 2010-07-15 WO disclosed
US-20100069448-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE EyePoint Pharmaceuticals, Inc. 2010-03-18 US disclosed
US-20100016336-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE EyePoint Pharmaceuticals, Inc. 2010-01-21 US disclosed
US-7622593-B2 4-{2-[2-(tert-Butoxycarbonyl)-3-phenylpropanamido]-2-(4-ethylthiazol-2-yl)ethyl}phenylsulfamic acid; anticarcinogenic, antitumor, antidiabrtic agent; angiogenesis inhibitor; sarcoid, syphilis, Paget's disease, vein occlusion, artery occlusion, carotid obstructive disease, chronic uveitis/vitritis THE PROCTER & GAMBLE COMPANY (US) 2009-11-24 US disclosed
EP-2041102-A2 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE The Procter & Gamble Company (US) 2009-04-01 EP disclosed
US-20080108631-A1 4-{2-[2-(tert-Butoxycarbonyl)-3-phenylpropanamido]-2-(4-ethylthiazol-2-yl)ethyl}phenylsulfamic acid; anticarcinogenic, antitumor, antidiabrtic agent; angiogenesis inhibitor; sarcoid, syphilis, Paget's disease, vein occlusion, artery occlusion, carotid obstructive disease, chronic uveitis/vitritis THE PROCTER & GAMBLE COMPANY (US) 2008-05-08 US disclosed
WO-2008002569-A2 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THE PROCTER & GAMBLE COMPANY (US) 2008-01-03 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100016336-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE PTPRCAP, PTPRC, PPP5C DGAT1 2731/4885NOTUM 3273/4885NPC1 3480/4885
US-20220117946-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE PTPRCAP, PTPRC, PPP5C DGAT1 2731/4885NOTUM 3273/4885NPC1 3480/4885
US-20220211675-A1 TIE-2 ACTIVATORS TARGETING THE SCHLEMM'S CANAL TIE1, TEK, TGFB2 DGAT1 3569/4885NOTUM 3728/4885NPC1 3267/4885
US-20220016086-A1 COMPOSITIONS AND METHODS FOR TREATING OCULAR EDEMA, NEOVASCULARIZATION AND RELATED DISEASES FLT4, VEGFA, AQP3 DGAT1 949/4885NOTUM 3400/4885NPC1 3998/4885
US-11253502-B2 Tie-2 activators targeting the Schlemm's canal TIE1, TEK, TGFB2 DGAT1 3569/4885NOTUM 3728/4885NPC1 3267/4885
US-20110268694-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME ICAM1, VCAM1, VIPR2 DGAT1 3191/4885NOTUM 4485/4885NPC1 3064/4885
US-20100069448-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE PTPRCAP, PTPRC, PPP5C DGAT1 2731/4885NOTUM 3273/4885NPC1 3480/4885
US-20080108631-A1 4-{2-[2-(tert-Butoxycarbonyl)-3-phenylpropanamido]-2-(4-ethylthiazol-2-yl)ethyl}phenylsulfamic acid; anticarcinogenic, antitumor, antidiabrtic agent; angiogenesis inhibitor; sarcoid, syphilis, Paget's disease, vein occlusion, artery occlusion, carotid obstructive disease, chronic uveitis/vitritis VASP, DUSP15, PPP5C DGAT1 1465/4885NOTUM 3404/4885NPC1 2083/4885
US-20200338048-A1 TIE-2 ACTIVATORS TARGETING THE SCHLEMM'S CANAL TIE1, TEK, TGFB2 DGAT1 3569/4885NOTUM 3728/4885NPC1 3267/4885
US-20200361926-A1 COMPOSITIONS, FORMULATIONS AND METHODS FOR TREATING OCULAR DISEASES TIE1, TEK, KDR DGAT1 2537/4885NOTUM 3280/4885NPC1 2164/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.