SCHEMBL10179436

SCHEMBL10179436

CS(=O)(=O)c1cccc2[nH]ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.47
HTR6 P50406 3/20 0.42
PIP4K2A P48426 1/20 0.41
PIP4K2B P78356 1/20 0.41
PIP4K2C Q8TBX8 1/20 0.41
DHPS P49366 2/20 0.40
PIK3CD O00329 1/20 0.40
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38
TUBA1A Q71U36 1/20 0.38
TUBA1C Q9BQE3 1/20 0.38
TUBB6 Q9BUF5 1/20 0.38

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
SCHEMBL28621770 0.84 AHR (0.50) AHRHTR6PIP4K2APIP4K2BPIP4K2C
SCHEMBL1037724 0.81 AHR (0.47) AHRHTR6DHPSPIK3CDRHEB
SCHEMBL29751642 0.81 AHR (0.47) AHRHTR6PIP4K2APIP4K2BPIP4K2C
SCHEMBL337953 0.81 AHR (0.52) AHRHTR6DHPSPIK3CDRHEB
SCHEMBL3799597 0.81 TTR (0.47) AHRHTR6DHPSPIK3CDRHEB
SCHEMBL3791954 0.80 AHR (0.43) AHRHTR6PIP4K2APIP4K2BPIP4K2C
SCHEMBL4302508 0.80 HTR6 (0.46) AHRHTR6PIP4K2APIP4K2BPIP4K2C
Hydrochloric Acid SCHEMBL28245580 0.79 TTR (0.46) AHRHTR6DHPSPIK3CDRHEB
SCHEMBL2444102 0.78 AHR (0.41) AHRHTR6PIP4K2APIP4K2BPIP4K2C
SCHEMBL30437454 0.77 HTR6 (0.49) AHRHTR6PIP4K2APIP4K2BPIP4K2C

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
EP-3283077-A2 BROMODOMAIN INHIBITOR Celgene Quanticel Research, Inc. (US) 2018-02-21 EP disclosed
WO-2016168682-A2 BROMODOMAIN INHIBITOR CELGENE QUANTICEL RESEARCH, INC. (US) 2016-10-20 WO disclosed
CN-105102449-A Antiviral compounds HOFFMANN LA ROCHE 2015-11-25 CN disclosed
US-20120245344-A1 GPR119 AGONIST NIPPON CHEMIPHAR CO., LTD. (JP) 2012-09-27 US disclosed
EP-2474540-A1 GPR119 AGONIST Nippon Chemiphar Co., Ltd. (JP) 2012-07-11 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 (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-20120245344-A1 GPR119 AGONIST GPR119, GPR4, GPR55 AHR 182/4885HTR6 446/4885PIP4K2A 3794/4885

“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.