SCHEMBL3309293

SCHEMBL3309293

CCOc1ccc2ccccc2c1C(=O)NC1(C(=O)O)Cc2ccccc2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CXCR5 P32302 10/20 1.00
ALDH1A1 P00352 3/20 0.49
LMNA P02545 2/20 0.49
TSHR P16473 1/20 0.49
RAB9A P51151 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TP53 P04637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
AVPR1A P37288 2/20 0.48
AVPR1B P47901 1/20 0.48
ABCB11 O95342 1/20 0.47
HIF1A Q16665 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
SCHEMBL3308672 0.89 CXCR5 (0.80) CXCR5ALDH1A1LMNATSHRRAB9A
SCHEMBL30393029 0.75 ALDH1A1 (0.61) CXCR5ALDH1A1LMNATSHRRAB9A
SCHEMBL503962 0.75 ALDH1A1 (0.61) CXCR5ALDH1A1LMNATSHRRAB9A
SCHEMBL3309481 0.75 CXCR5 (0.74) CXCR5LMNA
Hydrochloric Acid SCHEMBL1037379 0.74 ALDH1A1 (0.60) CXCR5ALDH1A1LMNATSHRRAB9A
SCHEMBL3310747 0.73 CXCR5 (1.00) CXCR5
SCHEMBL18288073 0.73 ALDH1A1 (0.58) CXCR5ALDH1A1LMNATSHRRAB9A
SCHEMBL17502589 0.73 NCEH1 (0.63) CXCR5ALDH1A1LMNATSHRRAB9A
SCHEMBL7111660 0.72 CXCR5 (0.57) CXCR5ALDH1A1LMNATSHRRAB9A
SCHEMBL4539589 0.72 ALDH1A1 (0.60) CXCR5ALDH1A1LMNATSHRRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 CXCR5 1/4885ALDH1A1 1892/4885LMNA 4505/4885

“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.