SCHEMBL160580

SCHEMBL160580

CCS(=O)(=O)c1c[c]ccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 2/20 0.56
GAA P10253 1/20 0.41
HSD11B1 P28845 2/20 0.36
BRD4 O60885 1/20 0.33
FLT1 P17948 1/20 0.32
FLT4 P35916 1/20 0.32
KDR P35968 1/20 0.32
ALDH1A1 P00352 3/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
POLB P06746 1/20 0.32
TNNI3K Q59H18 1/20 0.31
HTR6 P50406 1/20 0.31
TP53 P04637 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
RORC P51449 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30

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
SCHEMBL8435774 0.86 PSIP1 (0.41) PSIP1GAAHSD11B1ALDH1A1TDP1
SCHEMBL28206252 0.82 PSIP1 (0.34) PSIP1HSD11B1ALDH1A1TSHRSMN1; SMN2
SCHEMBL10606555 0.81 THRB (0.42) PSIP1ALDH1A1
SCHEMBL28245872 0.81 THRB (0.42) PSIP1ALDH1A1
SCHEMBL8926410 0.81 THRB (0.42) PSIP1ALDH1A1
SCHEMBL4524280 0.79 CA2 (0.47) PSIP1HSD11B1ALDH1A1POLB
SCHEMBL7863515 0.79 HSD11B1 (0.33) PSIP1HSD11B1ALDH1A1TDP1HSD17B10
SCHEMBL28640869 0.79 HTR6 (0.33) PSIP1HSD11B1HTR6
SCHEMBL28055 0.78 ENPP2 (0.39) PSIP1HTR6
SCHEMBL28129004 0.78 LOX (0.40) PSIP1ALDH1A1TSHRSMN1; SMN2POLB

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 293 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115536635-A Therapeutically active compounds and methods of use thereof 法国施维雅药厂 2022-12-30 CN claimed
CN-115521264-A Therapeutically active compounds and methods of use thereof 法国施维雅药厂 2022-12-27 CN claimed
CN-105980386-B Pyrazolo compounds and uses thereof 基因泰克公司 2021-08-13 CN claimed
US-10772874-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. 2020-09-15 US claimed
EP-3019490-B1 N,6-BIS(ARYL OR HETEROARYL)-1,3,5-TRIAZINE-2,4-DIAMINE COMPOUNDS AS IDH2 MUTANTS INHIBITORS FOR THE TREATMENT OF CANCER AGIOS PHARMACEUTICALS INC (US) 2020-06-03 EP claimed
EP-2970307-B1 PYRAZOLO COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2020-03-11 EP claimed
US-10272072-B2 Compounds and compositions for the inhibition of NAMPT FORMA TM, LLC (US) 2019-04-30 US claimed
CN-108912066-A Therapeutical active compound and its application method 安吉奥斯医药品有限公司 2018-11-30 CN claimed
US-10111878-B2 N,6-bis(aryl or heteroaryl)-1,3,5-triazine-2,4-diamine compounds as IDH2 mutants inhibitors for the treatment of cancer AGIOS PHARMACEUTICALS, INC. (US) 2018-10-30 US claimed
US-10035801-B2 Pyrazolo compounds and uses thereof GENENTECH, INC. (US) 2018-07-31 US claimed
US-20070265256-A1 Phosphodiesterase 10 inhibitors AMGEN INC. 2007-11-15 US claimed
WO-2007098169-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2007-08-30 WO claimed
CN-1946700-A Trisubstituted ureas as cytokine inhibitors PROCTER & GAMBLE (US) 2007-04-11 CN claimed
EP-1633733-A4 CANNABINOID DERIVATIVES, METHODS OF MAKING, AND USE THEREOF UNIV TENNESSEE RES CORP (US) 2007-02-28 EP claimed
US-7169942-B2 agonists or antagonists; treatment for neuroinflammatory pathologies involving demyelinization, viral encephalitis, cerebrovascular accidents, cranial trauma, ocular disorders, pulmonary disorders, allergic diseases, inflammatory conditions, immune system disorders, central nervous system diseases, etc. UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2007-01-30 US claimed
JP-2007501279-A 2007-01-25 JP claimed
CN-1845894-A phenoxyacetic acid derivatives ASTRAZENECA AB (SE) 2006-10-11 CN claimed
EP-1633733-A1 CANNABINOID DERIVATIVES, METHODS OF MAKING, AND USE THEREOF THE UNIVERSITY OF TENNESSEE RESEARCH CORPORATION (US) 2006-03-15 EP claimed
WO-2004113320-A1 CANNABINOID DERIVATIVES, METHODS OF MAKING, AND USE THEREOF THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2004-12-29 WO claimed
US-20040242593-A1 Cannabinoid derivatives, methods of making, and use thereof UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2004-12-02 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-10111878-B2 N,6-bis(aryl or heteroaryl)-1,3,5-triazine-2,4-diamine compounds as IDH2 mutants inhibitors for the treatment of cancer IDH2, IDH3B, IDH3A PSIP1 3964/4885GAA 2440/4885HSD11B1 1187/4885
US-10035801-B2 Pyrazolo compounds and uses thereof KDM5A, KDM5C, KDM5B PSIP1 3824/4885GAA 1016/4885HSD11B1 2180/4885
US-10772874-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 PSIP1 3030/4885GAA 456/4885HSD11B1 1417/4885
US-20070265256-A1 Phosphodiesterase 10 inhibitors PDE7A, PDE7B, PDE10A PSIP1 999/4885GAA 81/4885HSD11B1 65/4885
US-10272072-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 PSIP1 3030/4885GAA 456/4885HSD11B1 1417/4885
US-20040242593-A1 Cannabinoid derivatives, methods of making, and use thereof CNR2, CNR1, GPR18 PSIP1 3604/4885GAA 4311/4885HSD11B1 1592/4885

“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.