SCHEMBL3500340

SCHEMBL3500340

Nc1sc2c(c1C(=O)O)CCOC2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.58
PTPN2 P17706 1/20 0.58
PTPN1 P18031 1/20 0.58
PTPRB P23467 1/20 0.58
PTPRE P23469 1/20 0.58
ALDH1A1 P00352 9/20 0.51
MAPT P10636 8/20 0.51
KDM4E B2RXH2 7/20 0.51
ADORA1 P30542 3/20 0.51
RAD52 P43351 1/20 0.51
RAB7A P51149 1/20 0.46
HPGD P15428 6/20 0.44
HSD17B10 Q99714 4/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
USP2 O75604 1/20 0.44
RECQL P46063 1/20 0.44
ALOX15 P16050 3/20 0.42
MAPK1 P28482 1/20 0.42
CFTR P13569 1/20 0.42

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
SCHEMBL8189546 0.88 ALDH1A1 (0.53) PTPRCPTPN2PTPN1PTPRBPTPRE
SCHEMBL3452996 0.87 ALDH1A1 (0.60) PTPRCPTPN2PTPN1PTPRBPTPRE
SCHEMBL15199361 0.85 PTPRC (0.47) PTPRCPTPN2PTPN1PTPRBPTPRE
SCHEMBL4055676 0.82 ALDH1A1 (0.66) PTPRCPTPN2PTPN1PTPRBPTPRE
SCHEMBL3761338 0.78 HSD17B10 (0.67) PTPRCPTPN2PTPN1PTPRBPTPRE
SCHEMBL3495630 0.78 MAPT (0.67) ALDH1A1MAPTKDM4EADORA1HPGD
SCHEMBL6315716 0.78 CXCR2 (0.54) PTPRCPTPN2PTPN1PTPRBPTPRE
SCHEMBL4083980 0.78 ANO1 (0.53) PTPRCPTPN2PTPN1PTPRBPTPRE
SCHEMBL5741314 0.77 PTPN1 (0.75) PTPRCPTPN2PTPN1PTPRBPTPRE
SCHEMBL135906 0.77 TDP1 (0.50) PTPRCPTPN2PTPN1PTPRBPTPRE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3736276-B1 THIENOCYCLIC COMPOUND AND SYNTHESIS METHOD THEREFOR AND APPLICATION THEREOF SHANGHAI YUYAO BIOTECH LTD (CN) 2023-03-01 EP disclosed
US-9376452-B2 Rab7 GTPase inhibitors and related methods of treatment ST. UNM (US) 2016-06-28 US disclosed
US-20140248268-A1 Rab7 GTPase Inhibitors and Related Methods of Treatment THE REGENTS OF THE UNIVERSITY OF NEW MEXICO 2014-09-04 US disclosed
US-8765803-B1 Rab7 GTPase inhibitors and related methods of treatment STC.UNM (US) 2014-07-01 US disclosed
US-20100160255-A1 SPIRO-CYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-24 US disclosed
US-20100160255-A1 SPIRO-CYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-24 US disclosed
US-20100160255-A1 SPIRO-CYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-24 US disclosed
EP-1911753-A1 SPIRO-CYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-04-16 EP disclosed
EP-1911753-A1 SPIRO-CYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-04-16 EP 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 (2 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-20140248268-A1 Rab7 GTPase Inhibitors and Related Methods of Treatment RAB7A, RAB5B, RAB1A PTPRC 1065/4885PTPN2 1864/4885PTPN1 2280/4885
US-20100160255-A1 SPIRO-CYCLIC COMPOUND ACACA, CPT1B, PC PTPRC 2014/4885PTPN2 1427/4885PTPN1 839/4885

“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.