SCHEMBL2548822

SCHEMBL2548822

Oc1ccc2oc(S)nc2c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 11/20 0.58
ESR2 Q92731 11/20 0.58
PIK3CA P42336 1/20 0.53
PIK3CB P42338 1/20 0.53
APP P05067 1/20 0.43
ENPP2 Q13822 1/20 0.41
CA12 O43570 2/20 0.40
CA9 Q16790 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
MCL1 Q07820 1/20 0.40
KDM6B O15054 1/20 0.40
KDM6A O15550 1/20 0.40
CA1 P00915 1/20 0.40
FLT3 P36888 1/20 0.39

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
SCHEMBL1562323 0.84 ESR1 (0.58) ESR1ESR2APPMAPTRAB9A
SCHEMBL29593303 0.76 MPO (0.45) PIK3CBMAPTKMT2A
SCHEMBL29361694 0.76 RAB9A (0.58) PIK3CBMEN1MAPTRAB9AKMT2A
SCHEMBL29437032 0.76 XDH (0.42) MEN1MAPTRAB9AKMT2A
SCHEMBL29593199 0.76 RAB9A (0.58) MEN1MAPTRAB9AKMT2A
SCHEMBL135052 0.76 RAB9A (0.58) MEN1MAPTRAB9AKMT2A
SCHEMBL9188510 0.76 RAB9A (0.58) PIK3CBMEN1MAPTRAB9AKMT2A
SCHEMBL4454889 0.76 MPO (0.45) PIK3CBMAPTKMT2A
SCHEMBL29593887 0.76 LMNA (0.61) MEN1MAPTRAB9AKMT2A
SCHEMBL1822085 0.76 XDH (0.42) MEN1MAPTRAB9AKMT2A

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-2563765-B1 BICYCLIC COMPOUND DERIVATIVES AND THEIR USE AS ACC INHIBITORS. TAKEDA PHARMACEUTICAL (JP) 2015-05-27 EP disclosed
US-8703758-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-04-22 US disclosed
EP-2563765-A1 BICYCLIC COMPOUND DERIVATIVES AND THEIR USE AS ACC INHIBITORS. Takeda Pharmaceutical Company Limited (JP) 2013-03-06 EP disclosed
WO-2011136385-A1 BICYCLIC COMPOUND DERIVATIVES AND THEIR USE AS ACC INHIBITORS. TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-11-03 WO disclosed
US-20110263562-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-27 US disclosed
US-20100261679-A1 CSF-1R, Inhibitors, Compositions, and Methods of Use NOVARTIS AG (CH) 2010-10-14 US disclosed
WO-2009050228-A2 CSF-1R INHIBITORS FOR TREATMENT OF CANCER AND BONE DISEASES NOVARTIS AG (CH) 2009-04-23 WO disclosed
CN-1091173-C Protecting agent able to remove rust from surface of copper or copper alloy INST OF METAL CHIENSE ACADEMY (CN) 2002-09-18 CN disclosed
CN-1286320-A Protecting agent able to remove rust from surface of copper or copper alloy SHENYANG INST OF METALS RES CH (CN) 2001-03-07 CN 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-20110263562-A1 BICYCLIC COMPOUND ACACA, CPT1B, ACACB ESR1 2472/4885ESR2 2534/4885PIK3CA 653/4885
US-20100261679-A1 CSF-1R, Inhibitors, Compositions, and Methods of Use CSF1R, CSF3R, MSR1 ESR1 1515/4885ESR2 630/4885PIK3CA 1862/4885

“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.