SCHEMBL4515919

SCHEMBL4515919

O=c1[nH]ccc2sc(-c3ccccc3)cc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.55
ALDH1A1 P00352 6/20 0.55
HPGD P15428 2/20 0.55
LMNA P02545 1/20 0.55
PTP4A3 O75365 2/20 0.54
PTP4A2 Q12974 1/20 0.54
PTP4A1 Q93096 1/20 0.54
SMN1; SMN2 Q16637 5/20 0.47
KDM4E B2RXH2 3/20 0.47
GAA P10253 2/20 0.47
MAPT P10636 5/20 0.46
NPC1 O15118 4/20 0.46
RXFP1 Q9HBX9 2/20 0.42
PPARG P37231 1/20 0.42
NCOA2 Q15596 1/20 0.42
NCOA1 Q15788 1/20 0.42
PARP1 P09874 2/20 0.42
STS P08842 1/20 0.42
TNKS O95271 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41

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
SCHEMBL14911794 0.84 GSK3B (0.56) RAB9AALDH1A1HPGDLMNAMAPT
SCHEMBL21963465 0.84 RAB9A (0.40) RAB9AALDH1A1HPGDLMNAPTP4A3
SCHEMBL13299937 0.76 ESR1 (0.50) RAB9AALDH1A1HPGDLMNAPTP4A3
SCHEMBL18137595 0.74 ALDH1A1 (0.51) RAB9AALDH1A1HPGDLMNAPTP4A3
SCHEMBL21963437 0.73 ELANE (0.42) RAB9AALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL7835046 0.73 PARP1 (0.39) RAB9AALDH1A1HPGDLMNAKDM4E
SCHEMBL2367579 0.72 ESR1 (0.47) RAB9AALDH1A1HPGDLMNAPTP4A3
SCHEMBL12278801 0.72 ESR1 (0.47) RAB9AALDH1A1HPGDLMNAPTP4A3
SCHEMBL4341520 0.72 ALDH1A1 (0.47) RAB9AALDH1A1HPGDLMNAKDM4E
SCHEMBL1374464 0.72 ALDH1A1 (0.69) RAB9AALDH1A1HPGDLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3310355-B1 PTP4A3 INHIBITOR FOR THE TREATMENT OF CANCER UNIV VIRGINIA PATENT FOUNDATION (US) 2020-11-11 EP disclosed
US-10308663-B2 Inhibitors of PTP4A3 for the treatment of cancer UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2019-06-04 US disclosed
US-20180170946-A1 INHIBITORS OF PTP4A3 FOR THE TREATMENT OF CANCER NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-06-21 US disclosed
US-20180170946-A1 INHIBITORS OF PTP4A3 FOR THE TREATMENT OF CANCER NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-06-21 US disclosed
WO-2016205534-A1 INHIBITORS OF PTP4A3 FOR THE TREATMENT OF CANCER LAZO JOHN S (US) 2016-12-22 WO disclosed
US-7635695-B2 Antiinflammation agents AMGEN INC. (US) 2009-12-22 US disclosed
US-20070155777-A1 Antiinflammation agents AMGEN, INC. 2007-07-05 US disclosed
US-7199119-B2 Antiinflammation agents AMGEN INC. (US) 2007-04-03 US disclosed
EP-1556053-A4 ANTIINFLAMMATION AGENTS AMGEN INC (US) 2006-04-19 EP disclosed
EP-1556053-A1 ANTIINFLAMMATION AGENTS Amgen Inc. (US) 2005-07-27 EP disclosed
WO-2004041285-A1 ANTIINFLAMMATION AGENTS AMGEN INC. (US) 2004-05-21 WO disclosed
US-20040097485-A1 Antiinflammation agents TULARIK INC. 2004-05-20 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-10308663-B2 Inhibitors of PTP4A3 for the treatment of cancer PTP4A3, PTPRCAP, PTP4A1 RAB9A 3017/4885ALDH1A1 1639/4885HPGD 2735/4885
US-20180170946-A1 INHIBITORS OF PTP4A3 FOR THE TREATMENT OF CANCER PTP4A3, PTPRCAP, PTP4A1 RAB9A 3017/4885ALDH1A1 1639/4885HPGD 2735/4885
US-20070155777-A1 Antiinflammation agents TNF, NFATC1, NFKBIA RAB9A 3501/4885ALDH1A1 3037/4885HPGD 322/4885
US-20040097485-A1 Antiinflammation agents TNF, NFATC1, NFKBIA RAB9A 3501/4885ALDH1A1 3037/4885HPGD 322/4885

“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.