SCHEMBL12812667

SCHEMBL12812667

Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2\SC(=S)NC2=O)o1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INSR P06213 2/20 0.69
IGF1R P08069 2/20 0.69
PIK3CG P48736 6/20 0.67
PTP4A3 O75365 1/20 0.67
PIK3CA P42336 3/20 0.61
POLB P06746 4/20 0.60
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
L3MBTL1 Q9Y468 3/20 0.60
TDP1 Q9NUW8 2/20 0.60
PPM1G O15355 1/20 0.59
PTPN1 P18031 1/20 0.59
PTPN7 P35236 1/20 0.59
PTPN5 P54829 1/20 0.59
PTPRO Q16827 1/20 0.59
PTPN22 Q9Y2R2 1/20 0.59
HSPD1 P10809 1/20 0.59
HSPE1 P61604 1/20 0.59
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58

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
SCHEMBL30657757 0.92 INSR (0.69) INSRIGF1RPIK3CGPTP4A3PIK3CA
SCHEMBL12812715 0.85 MEN1 (0.82) INSRIGF1RPIK3CGPTP4A3PIK3CA
SCHEMBL29665101 0.85 MEN1 (0.82) INSRIGF1RPIK3CGPTP4A3PIK3CA
SCHEMBL3362325 0.85 MEN1 (0.82) INSRIGF1RPIK3CGPTP4A3PIK3CA
SCHEMBL3362327 0.85 MEN1 (0.82) INSRIGF1RPIK3CGPTP4A3PIK3CA
SCHEMBL3363658 0.82 IGF1R (1.00) INSRIGF1RPIK3CGPTP4A3PIK3CA
SCHEMBL12989670 0.82 IGF1R (1.00) INSRIGF1RPIK3CGPTP4A3PIK3CA
SCHEMBL3363656 0.82 IGF1R (1.00) INSRIGF1RPIK3CGPTP4A3PIK3CA
SCHEMBL3364888 0.81 PIK3CG (1.00) INSRIGF1RPIK3CGPTP4A3PIK3CA
SCHEMBL12989666 0.81 PIK3CG (1.00) INSRIGF1RPIK3CGPTP4A3PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1802297-B1 COMPOSITIONS AND METHODS FOR TREATMENT OF DISEASE CAUSED BY YERSINIA SPP INFECTION BURNHAM INST (US) 2011-03-30 EP disclosed
US-20090312352-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF DISEASE CAUSED BY YERSINIA SPP INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-12-17 US disclosed
US-20090312352-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF DISEASE CAUSED BY YERSINIA SPP INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-12-17 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 (1 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-20090312352-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF DISEASE CAUSED BY YERSINIA SPP INFECTION PTPRS, PTPRO, PTPN5 INSR 2461/4885IGF1R 2923/4885PIK3CG 140/4885

“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.