SCHEMBL167758

SCHEMBL167758

COc1ccccc1-c1csc(C(=O)Cl)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 3/20 0.54
ATP4B P51164 3/20 0.54
CYP19A1 P11511 1/20 0.53
HPGDS O60760 1/20 0.53
VCP P55072 1/20 0.51
KDM1A O60341 1/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
MAPK1 P28482 1/20 0.46
EIF4E P06730 2/20 0.45
C1S P09871 1/20 0.45
HTR3A P46098 1/20 0.44
ADORA3 P0DMS8 2/20 0.44
SREBF2 Q12772 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
RECQL P46063 1/20 0.43
UCHL1 P09936 1/20 0.43
USP30 Q70CQ3 1/20 0.43
HSP90AA1 P07900 1/20 0.43

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
SCHEMBL167409 0.87 HPGDS (0.60) ATP4AATP4BCYP19A1HPGDSVCP
SCHEMBL14098383 0.79 RAB9A (0.54) ATP4AATP4BCYP19A1KDM4EMAPT
SCHEMBL7236508 0.77 HTR2C (0.60) KDM4EMAPTMEN1KMT2A
SCHEMBL10809236 0.76 HPGDS (0.65) ATP4AATP4BHPGDSVCPKDM1A
SCHEMBL10924221 0.76 HPGDS (0.65) ATP4AATP4BCYP19A1HPGDSVCP
SCHEMBL234658 0.75 ALDH1A1 (0.63) ATP4AATP4BCYP19A1HPGDSVCP
SCHEMBL29796690 0.75 ALDH1A1 (0.63) ATP4AATP4BCYP19A1HPGDSVCP
SCHEMBL8695711 0.75 CYP19A1 (0.61) ATP4AATP4BCYP19A1HPGDSVCP
SCHEMBL27711558 0.75 CYP19A1 (0.61) ATP4AATP4BCYP19A1HPGDSVCP
Iodide SCHEMBL11486465 0.74 ALDH1A1 (0.61) ATP4AATP4BCYP19A1HPGDSVCP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8999982-B2 Pharmaceutically active compounds as Axl inhibitors LEAD DISCOVERY CENTER GMBH (DE) 2015-04-07 US disclosed
EP-2609091-B1 PHARMACEUTICALLY ACTIVE COMPOUNDS AS AXL INHIBITORS LEAD DISCOVERY CENTER GMBH (DE) 2014-11-26 EP disclosed
US-20140018365-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AS AXL INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FÖRDERUNG DER WISSENSCCHAFTEN E.V. (DE) 2014-01-16 US disclosed
EP-2609091-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AS AXL INHIBITORS Lead Discovery Center GmbH (DE) 2013-07-03 EP disclosed
WO-2012028332-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AS AXL INHIBITORS LEAD DISCOVERY CENTER GMBH (DE) 2012-03-08 WO 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-20140018365-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AS AXL INHIBITORS AXL, FLT3, ERBB3 ATP4A 3711/4885ATP4B 3989/4885CYP19A1 3210/4885

“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.