SCHEMBL870698

SCHEMBL870698

COc1cccc(Cc2nnc(N[C@@H](Cc3ccc([N+](=O)[O-])cc3)c3csc(-c4cccs4)n3)s2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 7/20 0.57
POLB P06746 3/20 0.44
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.40
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL4009024 1.00 PTPRB (0.57) PTPRBPOLBLMNATSHRCSNK2A2
SCHEMBL686535 0.84 MAPT (0.47) PTPRBPOLBLMNAKDM4EALDH1A1
SCHEMBL23303560 0.78 PTPRB (0.46) PTPRBLMNAKDM4EALDH1A1NPC1
SCHEMBL8587434 0.78 PTPRB (0.46) PTPRBLMNAKDM4EALDH1A1NPC1
SCHEMBL3551815 0.76 PTPRB (0.46) PTPRBKDM4EALDH1A1NPC1RAB9A
SCHEMBL19945956 0.76 PTPRB (0.46) PTPRBKDM4EALDH1A1NPC1RAB9A
SCHEMBL29794284 0.76 PTPRB (0.46) PTPRBKDM4EALDH1A1NPC1RAB9A
Ammonia Solution, Strong SCHEMBL19894166 0.75 ADORA2A (0.35) PTPRBPOLBLMNATSHRADORA3
SCHEMBL14303545 0.75 PTPRB (0.56) PTPRBPOLBLMNACSNK2A2CSNK2B
SCHEMBL23303494 0.75 PTPRB (0.59) PTPRBKDM4ENPC1RAB9A

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101506204-B Human protein tyrosine phosphatase inhibitors and methods of use WARNER CHILCOTT CO LLC 2012-05-30 CN claimed
US-20120077853-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE EyePoint Pharmaceuticals, Inc. 2012-03-29 US claimed
US-7589212-B2 {4-[2-(5-methyl-[1,3,4]thiadiazol-2-ylamino)-2-(4-phenylthiazol-2-yl)-ethyl]phenyl}sulfamic acid; anticarcinogenic, antitumor, antidiabrtic agent; angiogenesis inhibitor; sarcoid, syphilis, Paget's disease, vein occlusion, artery occlusion, carotid obstructive disease, chronic uveitis/vitritis PROCTER & GAMBLE COMPANY (US) 2009-09-15 US claimed
US-20090227639-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE EyePoint Pharmaceuticals, Inc. 2009-09-10 US claimed
CN-101506204-A Human protein tyrosine phosphatase inhibitors and methods of use PROCTER & GAMBLE (US) 2009-08-12 CN claimed
US-20070299116-A1 {4-[2-(5-methyl-[1,3,4]thiadiazol-2-ylamino)-2-(4-phenylthiazol-2-yl)-ethyl]phenyl}sulfamic 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) 2007-12-27 US claimed
EP-3287455-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE Aerpio Therapeutics, Inc. (US) 2018-02-28 EP disclosed
EP-2803663-B1 Human protein tyrosine phosphatase inhibitors and their pharmaceutical use AERPIO THERAPEUTICS INC (US) 2017-11-29 EP disclosed
EP-2803663-A1 Human protein tyrosine phosphatase inhibitors and their pharmaceutical use Aerpio Therapeutics Inc. (US) 2014-11-19 EP disclosed
EP-2041129-B1 Human protein-tyrosine phosphatase inhibitors and their pharmaceutical use AERPIO THERAPEUTICS INC (US) 2014-09-03 EP disclosed
CN-101506204-B Human protein tyrosine phosphatase inhibitors and methods of use WARNER CHILCOTT CO LLC 2012-05-30 CN disclosed
US-8188125-B2 Human protein tyrosine phosphatase inhibitors and methods of use AERPIO THERAPEUTICS INC. (US) 2012-05-29 US disclosed
US-7589212-B2 {4-[2-(5-methyl-[1,3,4]thiadiazol-2-ylamino)-2-(4-phenylthiazol-2-yl)-ethyl]phenyl}sulfamic acid; anticarcinogenic, antitumor, antidiabrtic agent; angiogenesis inhibitor; sarcoid, syphilis, Paget's disease, vein occlusion, artery occlusion, carotid obstructive disease, chronic uveitis/vitritis PROCTER & GAMBLE COMPANY (US) 2009-09-15 US disclosed
US-20090227639-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE EyePoint Pharmaceuticals, Inc. 2009-09-10 US disclosed
CN-101506204-A Human protein tyrosine phosphatase inhibitors and methods of use PROCTER & GAMBLE (US) 2009-08-12 CN disclosed
US-20070299116-A1 {4-[2-(5-methyl-[1,3,4]thiadiazol-2-ylamino)-2-(4-phenylthiazol-2-yl)-ethyl]phenyl}sulfamic 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) 2007-12-27 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 (3 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-20070299116-A1 {4-[2-(5-methyl-[1,3,4]thiadiazol-2-ylamino)-2-(4-phenylthiazol-2-yl)-ethyl]phenyl}sulfamic acid; anticarcinogenic, antitumor, antidiabrtic agent; angiogenesis inhibitor; sarcoid, syphilis, Paget's disease, vein occlusion, artery occlusion, carotid obstructive disease, chronic uveitis/vitritis DUSP15, PPP5C, DUSP1 PTPRB 79/4885POLB 2268/4885LMNA 4409/4885
US-20120077853-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE PTPRCAP, PPP5C, PTPRC PTPRB 40/4885POLB 2156/4885LMNA 4555/4885
US-20090227639-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE PTPRCAP, PPP5C, PTPRC PTPRB 40/4885POLB 2156/4885LMNA 4555/4885

“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.