SCHEMBL387891

SCHEMBL387891

CCc1cc2cc(C(=O)O)[nH]c2cc1F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF4A3 P38919 3/20 0.57
GPR35 Q9HC97 1/20 0.53
KDM4E B2RXH2 3/20 0.53
HPGD P15428 3/20 0.53
HSD17B10 Q99714 3/20 0.53
ALDH1A1 P00352 2/20 0.53
PDPK1 O15530 1/20 0.53
LMNA P02545 1/20 0.53
TSHR P16473 1/20 0.53
NFKB1 P19838 1/20 0.53
APEX1 P27695 1/20 0.53
CYP2C19 P33261 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
PIN1 Q13526 1/20 0.49
SMAD3 P84022 1/20 0.46
F7 P08709 1/20 0.45
F3 P13726 1/20 0.45
SRD5A2 P31213 3/20 0.45
MAPT P10636 1/20 0.45
DAO P14920 1/20 0.45

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
SCHEMBL13905067 0.87 EIF4A3 (0.43) EIF4A3GPR35KDM4EHPGDHSD17B10
SCHEMBL14817842 0.86 EIF4A3 (0.52) EIF4A3GPR35KDM4EHPGDHSD17B10
SCHEMBL384853 0.83 XDH (0.47) EIF4A3KDM4EHPGDHSD17B10ALDH1A1
SCHEMBL1822934 0.83 EIF4A3 (0.68) EIF4A3GPR35KDM4EHPGDHSD17B10
SCHEMBL25306618 0.81 EIF4A3 (0.46) EIF4A3GPR35KDM4EHPGDHSD17B10
SCHEMBL30527506 0.81 EIF4A3 (0.46) EIF4A3GPR35KDM4EHPGDHSD17B10
SCHEMBL765246 0.80 EIF4A3 (0.60) EIF4A3GPR35KDM4EHPGDHSD17B10
SCHEMBL21175256 0.77 EIF4A3 (0.56) EIF4A3GPR35KDM4EHPGDHSD17B10
SCHEMBL17429451 0.77 EIF4A3 (0.65) EIF4A3GPR35KDM4EHPGDHSD17B10
SCHEMBL741404 0.77 EIF4A3 (0.56) EIF4A3GPR35KDM4EHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8614229-B2 Substituted indole derivatives and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2013-12-24 US disclosed
EP-2197842-B1 2, 3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS SCHERING CORP (US) 2012-05-23 EP disclosed
US-8143305-B2 2,3-substituted indole derivatives for treating viral infections SCHERING CORPORATION (US) 2012-03-27 US disclosed
US-8143305-B2 2,3-substituted indole derivatives for treating viral infections SCHERING CORPORATION (US) 2012-03-27 US disclosed
US-8143305-B2 2,3-substituted indole derivatives for treating viral infections SCHERING CORPORATION (US) 2012-03-27 US disclosed
EP-2408761-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF Schering Corporation (US) 2012-01-25 EP disclosed
US-20110104110-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF SHERING CORPORATION 2011-05-05 US disclosed
US-20110104109-A1 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-05-05 US disclosed
US-20110104109-A1 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-05-05 US disclosed
US-20110104109-A1 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-05-05 US disclosed
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-02-10 US disclosed
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-02-10 US disclosed
EP-2197884-A2 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS SCHERING CORPORATION (US) 2010-06-23 EP disclosed
EP-2197842-A1 2, 3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS SCHERING CORPORATION (US) 2010-06-23 EP disclosed
WO-2009032124-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2009-03-12 WO disclosed
WO-2009032124-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2009-03-12 WO disclosed
WO-2009032116-A1 2, 3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS SCHERING CORPORATION (US) 2009-03-12 WO disclosed
WO-2009032116-A1 2, 3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS SCHERING CORPORATION (US) 2009-03-12 WO disclosed
WO-2009032123-A2 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS SCHERING CORPORATION (US) 2009-03-12 WO disclosed
WO-2009032123-A2 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS SCHERING CORPORATION (US) 2009-03-12 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 (3 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-20110104109-A1 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS IDO1, IDO2, ZC3HAV1 EIF4A3 2250/4885GPR35 2442/4885KDM4E 2071/4885
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS IDO2, IDO1, IRF3 EIF4A3 461/4885GPR35 2493/4885KDM4E 1061/4885
US-20110104110-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, INMT EIF4A3 1461/4885GPR35 2132/4885KDM4E 1111/4885

“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.