SCHEMBL8932072

SCHEMBL8932072

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 2/20 0.42
GSK3B P49841 1/20 0.42
ALDH1A1 P00352 4/20 0.41
CA2 P00918 1/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
ITGA4 P13612 1/20 0.40
ITGB7 P26010 1/20 0.40
MGLL Q99685 2/20 0.40
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
MAPT P10636 1/20 0.39
BCL9 O00512 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
SCHEMBL8932106 0.85 CA2 (0.52) MEN1KMT2ALMNAALDH1A1CA2
SCHEMBL4930510 0.83 MMP1 (0.46) MEN1KMT2ALMNAALDH1A1CA2
SCHEMBL4930519 0.83 MMP1 (0.46) MEN1KMT2ALMNAALDH1A1CA2
SCHEMBL3572564 0.80 CA2 (0.49) MEN1KMT2ALMNAGSK3BCA2
SCHEMBL14374796 0.79 KMT2A (0.46) MEN1KMT2ALMNAALDH1A1CA2
SCHEMBL468113 0.78 PPARG (0.56) MEN1KMT2ALMNACA2ITGA4
SCHEMBL8932129 0.78 MEN1 (0.40) MEN1KMT2ALMNAALDH1A1CA2
SCHEMBL17083262 0.78 PPARG (0.56) MEN1KMT2ALMNACA2ITGA4
SCHEMBL500869 0.78 PPARG (0.56) MEN1KMT2ALMNACA2ITGA4
SCHEMBL8021733 0.78 MEN1 (0.47) MEN1KMT2ALMNAALDH1A1MGLL

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 MEN1 4526/4885KMT2A 3966/4885LMNA 4409/4885
US-20120077853-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE PTPRCAP, PPP5C, PTPRC MEN1 3705/4885KMT2A 3601/4885LMNA 4555/4885
US-20090227639-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE PTPRCAP, PPP5C, PTPRC MEN1 3705/4885KMT2A 3601/4885LMNA 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.