SCHEMBL3310094

SCHEMBL3310094

Fc1cccc(C(Br)Br)c1F

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.46
CES1 P23141 4/20 0.46
BCHE P06276 1/20 0.38
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
GLS O94925 1/20 0.31
HDAC4 P56524 1/20 0.31
TACR1 P25103 1/20 0.31
P2RX7 Q99572 1/20 0.31

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
SCHEMBL1600457 0.83 CES2 (0.44) CES2CES1BCHESLC6A2SLC6A4
SCHEMBL4455674 0.81 P2RX7 (0.44) CES2CES1BCHESLC6A2ALDH1A1
SCHEMBL30846952 0.81 P2RX7 (0.44) CES2CES1BCHESLC6A2ALDH1A1
SCHEMBL286673 0.79 IDO1 (0.42) CES2CES1SLC6A2SLC6A4SLC6A3
SCHEMBL17252805 0.78 ACHE (0.39) CES2CES1SLC6A2ALDH1A1CYP1A2
SCHEMBL28865878 0.78 CES2 (0.41) CES2CES1BCHETACR1P2RX7
SCHEMBL16956757 0.77 CES2 (0.47) CES2CES1BCHESLC6A2SLC6A4
SCHEMBL22124021 0.76 CFD (0.46) ALDH1A1CYP1A2CYP2C9CYP2C19IDO1
SCHEMBL20550915 0.76 CES2 (0.43) CES2CES1BCHEGLSHDAC4
SCHEMBL953105 0.76 CES2 (0.40) CES2CES1BCHEGLSP2RX7

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 4 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-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

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 CES2 2654/4885CES1 2344/4885BCHE 4165/4885

“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.