SCHEMBL2646836

SCHEMBL2646836

FC(F)(F)Oc1ccc(-c2cccs2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.47
HTR2A P28223 2/20 0.47
LTA4H P09960 1/20 0.47
KCNH2 Q12809 2/20 0.46
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
DRD2 P14416 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
CYP17A1 P05093 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
KCNA5 P22460 1/20 0.42
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
PDK2 Q15119 1/20 0.41
ERCC5 P28715 1/20 0.40
FEN1 P39748 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL10470626 0.89 ERCC5 (0.45) DRD4HTR2ALTA4HTP53MAPT
SCHEMBL16546591 0.86 LTA4H (0.44) DRD4HTR2ALTA4HKCNH2MAPT
SCHEMBL5274981 0.86 MAPK14 (0.47) DRD4HTR2AKCNH2TP53MAPT
SCHEMBL3688699 0.81 LTA4H (0.47) LTA4HKCNH2MAPTHRH3CYP17A1
SCHEMBL14082967 0.81 TRPV1 (0.66) DRD4HTR2AMAPTMEN1KMT2A
SCHEMBL9796767 0.78 LTA4H (0.55) LTA4HKCNH2MAPTHRH3CYP17A1
SCHEMBL30949385 0.77 EPHX2 (0.59) DRD4HTR2ATP53MAPTDRD2
SCHEMBL338810 0.77 LTA4H (0.70) LTA4HKCNH2MAPTHRH3CYP17A1
SCHEMBL154628 0.76 LTA4H (0.53) DRD4HTR2ALTA4HKCNH2TP53
SCHEMBL16546597 0.75 KCNH2 (0.39) DRD4HTR2ALTA4HKCNH2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105524058-B Pyrazolo [1,5 a] pyridine compounds and their and its application 广州艾格生物科技有限公司 2018-03-27 CN claimed
CN-105524058-B Pyrazolo [1,5 a] pyridine compounds and their and its application 广州艾格生物科技有限公司 2018-03-27 CN disclosed
WO-2015041026-A1 BENZOBIS (THIADIAZOLE) DERIVATIVE, INK CONTAINING SAME, AND ORGANIC ELECTRONIC DEVICE USING SAME 宇部興産株式会社 2015-03-26 WO disclosed
US-8952016-B2 Substituted xanthine derivatives CONCERT PHARMACEUTICALS, INC. (US) 2015-02-10 US disclosed
EP-1373262-B1 AZACYCLOALKYL SUBSTITUTED ACETIC ACID DERIVATIVES FOR USE AS MMP INHIBITORS NOVARTIS AG (CH) 2010-05-12 EP disclosed
US-20070060569-A1 Azacycloalkyl substituted acetic acid derivatives for use as MMP inhibitors NOVARTIS AG (CH) 2007-03-15 US disclosed
US-20040235896-A1 Certain azacycloalkyl substituted acetic acid derivatives FUJIMOTO ROGER AKI (US) 2004-11-25 US disclosed
EP-1373262-A2 AZACYCLOALKYL SUBSTITUTED ACETIC ACID DERIVATIVES FOR USE AS MMP INHIBITORS Novartis AG (CH) 2004-01-02 EP disclosed
WO-2002072577-A2 AZACYCLOALKYL SUBSTITUTED ACETIC ACID DERIVATIVES FOR USE AS MMP INHIBITORS. NOVARTIS AG (CH) 2002-09-19 WO disclosed
US-6218431-B1 GLUCAGON RECEPTOR ANTAGONISTS FOR THERAPY OF DIABETES AND CONDITIONS ASSOCIATED WITH DIABETES BAYER CORPORATION 2001-04-17 US disclosed
EP-0934274-A1 SUBSTITUTED PYRIDINES AND BIPHENYLS AS ANTI-HYPERCHOLESTERINEMIC, ANTI-HYPERLIPOPROTEINEMIC AND ANTI-HYPERGLYCEMIC AGENTS Bayer Corporation (US) 1999-08-11 EP disclosed
WO-1998004528-A2 SUBSTITUTED PYRIDINES AND BIPHENYLS AS ANTI-HYPERCHOLESTERINEMIC, ANTI-HYPERLIPOPROTEINEMIC AND ANTI-HYPERGLYCEMIC AGENTS BAYER CORPORATION (US) 1998-02-05 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 (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-20070060569-A1 Azacycloalkyl substituted acetic acid derivatives for use as MMP inhibitors MMP9, MMP1, MMP13 DRD4 4689/4885HTR2A 1599/4885LTA4H 153/4885
US-20040235896-A1 Certain azacycloalkyl substituted acetic acid derivatives MMP1, MMP9, MMP13 DRD4 4802/4885HTR2A 1754/4885LTA4H 169/4885

“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.