SCHEMBL6042615

SCHEMBL6042615

CS(=O)(=O)OCc1cc(-c2ccccc2)no1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.60
NPC1 O15118 9/20 0.60
SMN1; SMN2 Q16637 8/20 0.60
L3MBTL1 Q9Y468 5/20 0.60
TDP1 Q9NUW8 3/20 0.60
LMNA P02545 3/20 0.57
POLB P06746 2/20 0.57
NOTUM Q6P988 2/20 0.54
CASP3 P42574 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
MAPT P10636 4/20 0.52
ALDH1A1 P00352 3/20 0.51
HPGD P15428 1/20 0.50
STAT3 P40763 1/20 0.50
STAT1 P42224 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
PTGS2 P35354 1/20 0.49

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
SCHEMBL189013 0.86 RAB9A (0.61) RAB9ANPC1SMN1; SMN2L3MBTL1TDP1
SCHEMBL27163351 0.86 CYP2E1 (0.60) RAB9ANPC1SMN1; SMN2L3MBTL1TDP1
SCHEMBL30948341 0.86 RAB9A (0.54) RAB9ANPC1SMN1; SMN2L3MBTL1TDP1
SCHEMBL30948112 0.85 NPC1 (0.48) RAB9ANPC1SMN1; SMN2L3MBTL1TDP1
SCHEMBL1545102 0.85 NOTUM (0.59) RAB9ANPC1SMN1; SMN2L3MBTL1TDP1
SCHEMBL1221187 0.82 PPARD (0.47) RAB9ANPC1SMN1; SMN2L3MBTL1TDP1
SCHEMBL9901825 0.82 CA12 (0.45) RAB9ANPC1SMN1; SMN2L3MBTL1TDP1
SCHEMBL30948111 0.82 CA12 (0.45) RAB9ANPC1SMN1; SMN2L3MBTL1TDP1
SCHEMBL30948125 0.81 NPC1 (0.41) RAB9ANPC1SMN1; SMN2L3MBTL1TDP1
SCHEMBL27587165 0.81 MAPT (0.41) RAB9ANPC1SMN1; SMN2L3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240246937-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2024-07-25 US disclosed
EP-4329889-A1 IL4I1 INHIBITORS AND METHODS OF USE Merck Sharp & Dohme LLC (US) 2024-03-06 EP disclosed
WO-2022232333-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2022-11-03 WO disclosed
US-20190077777-A1 NICOTINIC ACID DERIVATIVES, THEIR PREPARATION AND THE USE THEREOF XIAMEN INSTITUTE OF RARE EARTH MATERIALS (CN) 2019-03-14 US disclosed
US-9738673-B1 Ferrocene derivative, preparation method and use thereof XIAMEN INSTITUTE OF RARE EARTH MATERIALS (CN) 2017-08-22 US disclosed
US-9738673-B1 Ferrocene derivative, preparation method and use thereof XIAMEN INSTITUTE OF RARE EARTH MATERIALS (CN) 2017-08-22 US disclosed
US-9434741-B2 Thieno[2,3-d]pyrimidine derivatives, preparation method and use thereof FUJIAN INSTITUTE OF RESEARCH ON THE STRUCTURE OF MATTER, CHINESE ACADEMY OF SCIENCES (CN) 2016-09-06 US disclosed
US-9434741-B2 Thieno[2,3-d]pyrimidine derivatives, preparation method and use thereof FUJIAN INSTITUTE OF RESEARCH ON THE STRUCTURE OF MATTER, CHINESE ACADEMY OF SCIENCES (CN) 2016-09-06 US disclosed
EP-2835372-B1 THIOPHENE [2, 3-D]PYRIMIDINE DERIVATIVE, AND PREPARATION METHOD AND USE THEREOF FUJIAN MATTER STRUCTURE (CN) 2016-05-04 EP disclosed
EP-2752413-B1 QUINAZOLINE DERIVATIVE AND APPLICATION THEREOF FUJIAN MATTER STRUCTURE (CN) 2016-03-23 EP disclosed
US-20140221402-A1 QUINAZOLINE DERIVATIVE AND APPLICATION THEREOF FUJIAN INSTITUTE OF RESEARCH ON THE STRUCTURE OF MATTER, CHINESE ACADEMY OF SCIENCES (JP) 2014-08-07 US disclosed
US-20140221402-A1 QUINAZOLINE DERIVATIVE AND APPLICATION THEREOF FUJIAN INSTITUTE OF RESEARCH ON THE STRUCTURE OF MATTER, CHINESE ACADEMY OF SCIENCES (JP) 2014-08-07 US disclosed
EP-2752413-A1 QUINAZOLINE DERIVATIVE AND APPLICATION THEREOF Fujian Institute Of Research On The Structure Of Matter, Chinese Academy Of Sciences (CN) 2014-07-09 EP disclosed
WO-2014043866-A1 THIOPHENE [2, 3-D] PYRIMIDINE DERIVATIVE, AND PREPARATION METHOD AND USE THEREOF 中国科学院福建物质结构研究所 (CN) 2014-03-27 WO disclosed
WO-2013143319-A1 QUINAZOLINE DERIVATIVE AND USAGE THEREOF 中国科学院福建物质结构研究所 (CN) 2013-10-03 WO disclosed
WO-2013143057-A1 QUINAZOLINE DERIVATIVE AND APPLICATION THEREOF 中国科学院福建物质结构研究所 (CN) 2013-10-03 WO disclosed
US-20060079533-A1 Methods of treating alzheimer's disease NIEMAN JAMES A 2006-04-13 US disclosed
WO-2002076440-A2 METHODS OF TREATING ALZHEIMER'S DISEASE WITH PIPERIDIN DERIVATES ELAN PHARMACEUTICALS, INC. (US) 2002-10-03 WO disclosed
US-6150526-A Piperidine derivative having renin inhibiting activity HOFFMANN-LA ROCHE INC. (US) 2000-11-21 US disclosed
US-6051712-A PREVENTION OF HIGH BLOOD PRESSURE AND CARDIAC INSUFFICIENCY, AS WELL AS GLAUCOMA, CARDIAC INFARCT, KIDNEY INSUFFICIENCY AND RESTENOSIS HOFFMANN-LA ROCHE INC. (US) 2000-04-18 US 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 (4 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-20140221402-A1 QUINAZOLINE DERIVATIVE AND APPLICATION THEREOF ERBB4, EGFR, ERBB2 RAB9A 1800/4885NPC1 1176/4885SMN1; SMN2 4645/4885
US-20060079533-A1 Methods of treating alzheimer's disease BACE1, PSEN1, PSEN2 RAB9A 1698/4885NPC1 418/4885SMN1; SMN2 1096/4885
US-20190077777-A1 NICOTINIC ACID DERIVATIVES, THEIR PREPARATION AND THE USE THEREOF H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCAR3, NAPRT RAB9A 1833/4885NPC1 416/4885SMN1; SMN2 2249/4885
US-20240246937-A1 IL4I1 INHIBITORS AND METHODS OF USE IL4I1, IL4, IL2 RAB9A 3769/4885NPC1 2807/4885SMN1; SMN2 4821/4885

“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.