SCHEMBL7434160

SCHEMBL7434160

CCc1ccc(C(=O)O)cc1I

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
TPMT P51580 4/20 0.48
RAB9A P51151 2/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
KMT2A Q03164 1/20 0.47
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
KDM4E B2RXH2 3/20 0.43
GAA P10253 3/20 0.43
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 3/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 2/20 0.42
THRB P10828 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
GFER P55789 1/20 0.42
PLEC Q15149 1/20 0.42

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
SCHEMBL566208 0.87 TPMT (0.44) ALDH1A1TPMTRAB9AMEN1NPC1
SCHEMBL30988384 0.84 ACE2 (0.49) ALDH1A1TPMTKDM4EGAAMAPT
SCHEMBL16080084 0.84 ACE2 (0.49) ALDH1A1TPMTKDM4EGAAMAPT
SCHEMBL31721465 0.84 ALDH1A1 (0.50) ALDH1A1TPMTRAB9AMEN1NPC1
SCHEMBL10503509 0.82 TPMT (0.47) ALDH1A1TPMTKDM4EGAAMAPT
SCHEMBL31370442 0.82 TPMT (0.47) ALDH1A1TPMTKDM4EGAAMAPT
SCHEMBL2755400 0.81 ALDH1A1 (0.56) ALDH1A1TPMTRAB9AMEN1NPC1
SCHEMBL31291738 0.79 CA1 (0.50) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL27914915 0.79 CA1 (0.50) ALDH1A1MEN1KMT2AKDM4EGAA
Hydrochloric Acid SCHEMBL10354232 0.79 ALDH1A1 (0.54) ALDH1A1TPMTRAB9AMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3092232-B1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS FOR USE AGAINST CANCER AND VIRAL INFECTIONS SAGIMET BIOSCIENCES INC (US) 2022-03-09 EP disclosed
US-9994550-B2 Heterocyclic modulators of lipid synthesis for use against cancer and viral infections 3-V BIOSCIENCES, INC. (US) 2018-06-12 US disclosed
US-9994550-B2 Heterocyclic modulators of lipid synthesis for use against cancer and viral infections 3-V BIOSCIENCES, INC. (US) 2018-06-12 US disclosed
EP-3092232-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS FOR USE AGAINST CANCER AND VIRAL INFECTIONS 3-V Biosciences, Inc. (US) 2016-11-16 EP disclosed
US-20160326141-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS FOR USE AGAINST CANCER AND VIRAL INFECTIONS SAGIMET BIOSCIENCES INC. 2016-11-10 US disclosed
US-20160326141-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS FOR USE AGAINST CANCER AND VIRAL INFECTIONS SAGIMET BIOSCIENCES INC. 2016-11-10 US disclosed
US-20160326141-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS FOR USE AGAINST CANCER AND VIRAL INFECTIONS SAGIMET BIOSCIENCES INC. 2016-11-10 US disclosed
WO-2015105860-A9 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS FOR USE AGAINST CANCER AND VIRAL INFECTIONS 3-V BIOSCIENCES, INC. (US) 2016-02-04 WO disclosed
CN-103214480-B Pyrazolopyridine alkynes benzene-like compounds and medicinal compositions thereof and application GUANGZHOU INSTITUTES OF BIOMEDICINE AND HEALTH, CHINESE ACADEMY OF SCIENCES (CN) 2015-12-16 CN disclosed
WO-2015105860-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS FOR USE AGAINST CANCER AND VIRAL INFECTIONS 3-V BIOSCIENCES, INC. (US) 2015-07-16 WO disclosed
CN-104211639-A Alkynyl heterocyclic compounds and application thereof SHANGHAI INST MATERIA MEDICA 2014-12-17 CN disclosed
CN-103214480-A Pyrazolopyridines alkynylbenzene compound and medicinal composition and application GUANGZHOU INST BIOMED & HEALTH 2013-07-24 CN disclosed
CN-1826310-B Novel aminobenzophenone compounds LEO PHARMA AS 2010-07-21 CN disclosed
CN-101437800-A Compounds and compositions as HEDGEHOG pathway modulators IRM LLC (BM) 2009-05-20 CN disclosed
CN-1826310-A Novel aminobenzophenone compounds LEO PHARMA AS (DK) 2006-08-30 CN disclosed
CN-1092410-A Inhibitors of HIV protease as the treatment AIDS LILLY CO ELI (US) 1994-09-21 CN disclosed
EP-0609625-A1 Inhibitors of HIV protease useful for the treatment of AIDS ELI LILLY AND COMPANY (US) 1994-08-10 EP 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-20160326141-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS FOR USE AGAINST CANCER AND VIRAL INFECTIONS FASN, FADS1, FADS2 ALDH1A1 1328/4885TPMT 605/4885RAB9A 3166/4885

“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.