SCHEMBL16248013

SCHEMBL16248013

Fc1ccc2nccc(S)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 2/20 0.49
CCNC P24863 1/20 0.49
CYP11B2 P19099 4/20 0.46
PARP1 P09874 1/20 0.44
GAK O14976 1/20 0.42
SLC22A12 Q96S37 1/20 0.41
CLK2 P49760 1/20 0.39
ACVR1 Q04771 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
FERMT2 Q96AC1 1/20 0.38
USP10 Q14694 1/20 0.38
PIK3C3 Q8NEB9 1/20 0.38
USP13 Q92995 1/20 0.38
TGFBR1 P36897 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
IDO1 P14902 2/20 0.36
CHRM4 P08173 1/20 0.36
NCF1 P14598 1/20 0.35

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
SCHEMBL2326429 0.77 CCR1 (0.50) CDK8CCNCCYP11B2PARP1GAK
SCHEMBL16248020 0.77 CCNC (0.49) CDK8CCNCPARP1GAKSLC22A12
SCHEMBL30632276 0.77 CDK8 (0.46) CDK8CCNCCYP11B2PARP1GAK
SCHEMBL17693565 0.76 MAPT (0.46) PARP1SLC22A12KDM4EMAPTNCF1
SCHEMBL16247955 0.76 SLC22A12 (0.49) CDK8CCNCGAKSLC22A12ACVR1
SCHEMBL18970831 0.76 PARP1 (0.44) CDK8CCNCCYP11B2PARP1GAK
SCHEMBL29373276 0.76 CDK8 (0.49) CDK8CCNCCYP11B2PARP1GAK
SCHEMBL16705385 0.76 CDK8 (0.49) CDK8CCNCCYP11B2PARP1GAK
SCHEMBL16289172 0.76 CDK8 (0.49) CDK8CCNCCYP11B2PARP1GAK
SCHEMBL591523 0.76 CDK8 (0.49) CDK8CCNCCYP11B2PARP1GAK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109575022-B Compound and application thereof 成都海博锐药业有限公司 2021-09-21 CN disclosed
EP-2998296-B1 CYCLOALKYL ACID DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL APPLICATION THEREOF Shanghai hengrui pharmaceutical co ltd (CN) 2018-03-14 EP disclosed
US-9637484-B2 Cycloalkyl acid derivative, preparation method thereof, and pharmaceutical application thereof SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2017-05-02 US disclosed
US-9637484-B2 Cycloalkyl acid derivative, preparation method thereof, and pharmaceutical application thereof SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2017-05-02 US disclosed
US-9637484-B2 Cycloalkyl acid derivative, preparation method thereof, and pharmaceutical application thereof SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2017-05-02 US disclosed
US-20160108035-A1 CYCLOALKYL ACID DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL APPLICATION THEREOF Shanghai Hengrui Pharmaceutical Co., Lt.d (CN) 2016-04-21 US disclosed
US-20160108035-A1 CYCLOALKYL ACID DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL APPLICATION THEREOF Shanghai Hengrui Pharmaceutical Co., Lt.d (CN) 2016-04-21 US disclosed
US-20160108035-A1 CYCLOALKYL ACID DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL APPLICATION THEREOF Shanghai Hengrui Pharmaceutical Co., Lt.d (CN) 2016-04-21 US disclosed
EP-2998296-A1 CYCLOALKYL ACID DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL APPLICATION THEREOF Shanghai Hengrui Pharmaceutical Co. Ltd. (CN) 2016-03-23 EP disclosed
EP-2998296-A1 CYCLOALKYL ACID DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL APPLICATION THEREOF Shanghai Hengrui Pharmaceutical Co. Ltd. (CN) 2016-03-23 EP disclosed
WO-2014183555-A1 CYCLOALKYL ACID DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL APPLICATION THEREOF 上海恒瑞医药有限公司 (CN) 2014-11-20 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-20160108035-A1 CYCLOALKYL ACID DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL APPLICATION THEREOF UGP2, MPST, KYAT1 CDK8 3658/4885CCNC 4760/4885CYP11B2 1048/4885

“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.