SCHEMBL383489

SCHEMBL383489

Cc1cccc(C(=O)O)c1OC(C)C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
KDM4E B2RXH2 2/20 0.62
HPGD P15428 2/20 0.62
HSD17B10 Q99714 2/20 0.62
CXCR5 P32302 8/20 0.54
MYC P01106 1/20 0.47
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 1/20 0.44
MEN1 O00255 1/20 0.42
AKR1B10 O60218 1/20 0.42
TRPA1 O75762 1/20 0.42
ABCB11 O95342 1/20 0.42
DHFR P00374 1/20 0.42
LMNA P02545 1/20 0.42
MPO P05164 1/20 0.42
CYP1A2 P05177 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
SCHEMBL3309536 0.85 CXCR5 (0.52) ALDH1A1KDM4EHPGDHSD17B10CXCR5
SCHEMBL12569955 0.84 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDHSD17B10CXCR5
SCHEMBL28117577 0.84 CXCR5 (0.50) ALDH1A1KDM4EHPGDHSD17B10CXCR5
SCHEMBL23739275 0.84 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDHSD17B10CXCR5
SCHEMBL382127 0.83 CXCR5 (0.58) ALDH1A1KDM4EHPGDHSD17B10CXCR5
SCHEMBL28020078 0.83 CXCR5 (0.49) ALDH1A1KDM4EHPGDHSD17B10CXCR5
SCHEMBL12313575 0.83 CXCR5 (0.52) ALDH1A1KDM4EHPGDHSD17B10CXCR5
SCHEMBL28017104 0.82 CXCR5 (0.52) ALDH1A1KDM4EHPGDHSD17B10CXCR5
SCHEMBL1818841 0.82 IRAK4 (0.54) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL31311107 0.82 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDHSD17B10CXCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116472292-A Modified proteins and protein degrading agents 上海睿跃生物科技有限公司 2023-07-21 CN disclosed
EP-2595989-B1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2016-07-13 EP disclosed
US-8569535-B2 Substituted benzoylamino-indan-2-carboxylic acids and related compounds SANOFI (FR) 2013-10-29 US disclosed
US-8569535-B2 Substituted benzoylamino-indan-2-carboxylic acids and related compounds SANOFI (FR) 2013-10-29 US disclosed
US-8569535-B2 Substituted benzoylamino-indan-2-carboxylic acids and related compounds SANOFI (FR) 2013-10-29 US disclosed
US-8101625-B2 Pyrimidinones as Casein Kinase II (CK2) modulators EXELIXIS, INC. (US) 2012-01-24 US disclosed
EP-1948617-B1 PYRIMIDINONES AS CASEIN KINASE II (CK2) MODULATORS EXELIXIS INC (US) 2011-07-27 EP disclosed
US-20100113462-A1 SUBSTITUTED BENZOYLAMINO-INDAN-2-CARBOXYLIC ACIDS AND RELATED COMPOUNDS SANOFI-AVENTIS (FR) 2010-05-06 US disclosed
US-20100113462-A1 SUBSTITUTED BENZOYLAMINO-INDAN-2-CARBOXYLIC ACIDS AND RELATED COMPOUNDS SANOFI-AVENTIS (FR) 2010-05-06 US disclosed
US-20100113462-A1 SUBSTITUTED BENZOYLAMINO-INDAN-2-CARBOXYLIC ACIDS AND RELATED COMPOUNDS SANOFI-AVENTIS (FR) 2010-05-06 US disclosed
EP-2155711-A1 SUBSTITUTED BENZOYLAMINO-INDAN-2-CARBOXYLIC ACIDS AND RELATED COMPOUNDS Sanofi-Aventis (FR) 2010-02-24 EP disclosed
WO-2008151211-A1 SUBSTITUTED BENZOYLAMINO-INDAN-2-CARBOXYLIC ACIDS AND RELATED COMPOUNDS SANOFI-AVENTIS (FR) 2008-12-11 WO disclosed
WO-2008151211-A1 SUBSTITUTED BENZOYLAMINO-INDAN-2-CARBOXYLIC ACIDS AND RELATED COMPOUNDS SANOFI-AVENTIS (FR) 2008-12-11 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 (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-20100113462-A1 SUBSTITUTED BENZOYLAMINO-INDAN-2-CARBOXYLIC ACIDS AND RELATED COMPOUNDS CXCR5, CXCR1, CCR5 ALDH1A1 1892/4885KDM4E 2918/4885HPGD 1424/4885

“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.