SCHEMBL8932106

SCHEMBL8932106

CCCN[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 1/20 0.45
ACE P12821 1/20 0.45
PPARG P37231 2/20 0.44
PPARA Q07869 2/20 0.44
ITGA4 P13612 1/20 0.44
ITGB7 P26010 1/20 0.44
ALDH1A1 P00352 3/20 0.44
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL6309878 0.91 ALDH1A1 (0.50) CA2MEN1KMT2ANPC1TP53
SCHEMBL28944005 0.87 CA2 (0.53) CA2MEN1KMT2ANPC1TP53
SCHEMBL28944004 0.87 CA2 (0.53) CA2MEN1KMT2ANPC1TP53
SCHEMBL4930510 0.86 MMP1 (0.46) CA2MEN1KMT2ANPC1TP53
SCHEMBL4930519 0.86 MMP1 (0.46) CA2MEN1KMT2ANPC1TP53
SCHEMBL28774137 0.86 CA2 (0.52) CA2MEN1KMT2ANPC1TP53
SCHEMBL28774136 0.86 CA2 (0.52) CA2MEN1KMT2ANPC1TP53
SCHEMBL8932072 0.85 MEN1 (0.43) CA2MEN1KMT2ANPC1TP53
SCHEMBL1096514 0.84 CA2 (0.55) CA2MEN1KMT2ANPC1TP53
SCHEMBL13223715 0.82 CA2 (0.56) CA2MEN1KMT2ANPC1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338615-B2 Human protein tyrosine phosphatase inhibitors and methods of use AERPIO THERAPEUTICS INC. (US) 2012-12-25 US disclosed
US-8188125-B2 Human protein tyrosine phosphatase inhibitors and methods of use AERPIO THERAPEUTICS INC. (US) 2012-05-29 US disclosed
US-20120077853-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE EyePoint Pharmaceuticals, Inc. 2012-03-29 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
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 CA2 735/4885MEN1 4526/4885KMT2A 3966/4885
US-20120077853-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE PTPRCAP, PPP5C, PTPRC CA2 2276/4885MEN1 3705/4885KMT2A 3601/4885
US-20090227639-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE PTPRCAP, PPP5C, PTPRC CA2 2276/4885MEN1 3705/4885KMT2A 3601/4885

“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.