SCHEMBL7718934

SCHEMBL7718934

COC(=O)Cc1cccc(CO)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.60
CYP4F2 P78329 3/20 0.53
CYP4A11 Q02928 3/20 0.53
HSP90AB1 P08238 1/20 0.52
ALDH1A1 P00352 2/20 0.51
GAA P10253 1/20 0.51
GFER P55789 1/20 0.51
HPGD P15428 3/20 0.48
TSHR P16473 2/20 0.48
MAPT P10636 1/20 0.48
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.43
PDK2 Q15119 2/20 0.43
NPC1 O15118 1/20 0.43
PKM P14618 1/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43

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
SCHEMBL12400239 0.92 SLC7A5 (0.68) SLC7A5CYP4F2CYP4A11HSP90AB1ALDH1A1
SCHEMBL7031797 0.91 SLC7A5 (0.52) SLC7A5CYP4F2CYP4A11HSP90AB1ALDH1A1
SCHEMBL4394735 0.87 SLC7A5 (0.62) SLC7A5CYP4F2CYP4A11HSP90AB1ALDH1A1
SCHEMBL8427611 0.86 CYP4F2 (0.69) SLC7A5CYP4F2CYP4A11HSP90AB1ALDH1A1
SCHEMBL14704371 0.86 SLC7A5 (0.57) SLC7A5CYP4F2CYP4A11HSP90AB1ALDH1A1
SCHEMBL12508635 0.85 SLC7A5 (0.60) SLC7A5CYP4F2CYP4A11HSP90AB1ALDH1A1
SCHEMBL1560308 0.85 SLC7A5 (0.65) SLC7A5CYP4F2CYP4A11HSP90AB1ALDH1A1
SCHEMBL694460 0.85 SLC7A5 (0.65) SLC7A5CYP4F2CYP4A11HSP90AB1ALDH1A1
SCHEMBL13460869 0.84 SLC7A5 (0.49) SLC7A5CYP4F2CYP4A11HSP90AB1ALDH1A1
SCHEMBL8655484 0.84 SLC7A5 (0.59) SLC7A5CYP4F2CYP4A11HSP90AB1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3456719-A1 COMPOUNDS AND THEIR METHODS OF USE Agios Pharmaceuticals, Inc. (US) 2019-03-20 EP disclosed
US-10087172-B2 Compounds and their methods of use AGIOS PHARMACEUTICALS, INC. (US) 2018-10-02 US disclosed
EP-2922850-B1 COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS INC (US) 2018-07-18 EP disclosed
EP-2922850-B1 COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS INC (US) 2018-07-18 EP disclosed
US-20150291576-A1 COMPOUNDS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2015-10-15 US disclosed
US-20150291576-A1 COMPOUNDS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2015-10-15 US disclosed
US-20150291576-A1 COMPOUNDS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2015-10-15 US disclosed
WO-2014079150-A1 COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC. (US) 2014-05-30 WO disclosed
WO-2012097427-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CANCER PROMETIC BIOSCIENCES INC. (CA) 2012-07-26 WO disclosed
US-20120088784-A1 Substituted Aromatic Compounds and Pharmaceutical Uses thereof PROMETIC PHARMA SMT LIMITED (GB) 2012-04-12 US disclosed
WO-2010127440-A1 SUBSTITUTED AROMATIC COMPOUNDS AND PHARMACEUTICAL USES THEREOF PROMETIC BIOSCIENCES INC. (CA) 2010-11-11 WO disclosed
US-7449576-B1 potent antagonists of the CCR1 receptor; inflammation; (5-Chloro-2-piperazin-1-yl-phenyl)-phenyl-methanone CHEMOCENTRYX, INC. (US) 2008-11-11 US disclosed
US-6376512-B1 FOR TREATING PHYSIOLOGICAL CONDITION IN PATIENT WHEREIN SAID CONDITION IS ASSOCIATED WITH A PHYSIOLOGICALLY DETRIMENTAL LEVELS OF INSULIN, GLUCOSE, FREE FATTY ACIDS, OR TRIGLYCERIDES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-04-23 US disclosed
EP-0315399-B1 Quinoline derivatives, their use in the treatment of hypersensitive ailments and a pharmaceutical composition containing the same RHONE POULENC RORER INT (US) 1996-01-10 EP disclosed
US-5059610-A QUINOLINE DERIVATIVES AND THEIR USE AS ANTAGONISTS OF LEUKOTRIENE D4 RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-10-22 US disclosed
US-4920132-A Quinoline derivatives and use thereof as antagonists of leukotriene D4 RORER PHARMACEUTICAL CORP. (US) 1990-04-24 US 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-20150291576-A1 COMPOUNDS AND THEIR METHODS OF USE GLS, GLS2, GLUL SLC7A5 393/4885CYP4F2 854/4885CYP4A11 1548/4885
US-10087172-B2 Compounds and their methods of use GLS, GLS2, GLUL SLC7A5 393/4885CYP4F2 854/4885CYP4A11 1548/4885
US-20120088784-A1 Substituted Aromatic Compounds and Pharmaceutical Uses thereof TYR, PAH, REN SLC7A5 453/4885CYP4F2 74/4885CYP4A11 26/4885

“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.