SCHEMBL3310733

SCHEMBL3310733

COC(=O)c1cc(Br)cc(C)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.43
KDM4E B2RXH2 2/20 0.42
PKM P14618 1/20 0.42
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA7 P43166 3/20 0.42
CA9 Q16790 3/20 0.42
CA14 Q9ULX7 3/20 0.42
PDK2 Q15119 1/20 0.42
PDK4 Q16654 1/20 0.42
GAA P10253 3/20 0.41
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.41
NFKB1 P19838 1/20 0.41
XDH P47989 1/20 0.41
GFER P55789 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
FUT7 Q11130 1/20 0.41

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
SCHEMBL28532275 0.84 KDR (0.39) KDRKDM4EPKMLMNAMAPT
SCHEMBL17627594 0.83 AKR1C4 (0.60) KDM4ECA12CA1CA2CA7
SCHEMBL1229320 0.83 KDM4E (0.43) KDM4EPKMCA12CA1CA2
SCHEMBL856043 0.83 GAA (0.52) KDM4ECA12CA1CA2CA7
SCHEMBL1636595 0.83 KDM4E (0.43) KDM4EPKMCA12CA1CA2
SCHEMBL8117147 0.82 RXFP1 (0.48) KDM4ECA12CA1CA2CA7
SCHEMBL23796581 0.81 CYP3A4 (0.56) KDM4EPKMCA12CA1CA2
SCHEMBL8395371 0.81 GAA (0.45) KDM4ECA12CA1CA2CA7
SCHEMBL13779473 0.81 CA1 (0.50) KDM4ECA12CA1CA2CA7
SCHEMBL1620851 0.80 FAAH (0.55) KDM4EPKMCA12CA1CA2

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 15 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
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
US-4192883-A ANTITUSSIVES PIERRE FABRE, S.A. (FR) 1980-03-11 US disclosed
US-4122199-A Amides of pyrrolidinoethylamine which can be used in treatment of coughs PIERRE FABRE S.A. (FR) 1978-10-24 US disclosed
US-4060637-A 5-BROMO-N-(N,N'-DIALKYLAMINOALKYL)-O-CRESOTAMIDES PIERRE FABRE SA (FR) 1977-11-29 US disclosed
US-3958002-A ADMINISTERING PIERRE FABRE S.A. (FR) 1976-05-18 US disclosed
US-3941878-A ASPIRIN, A CRESOTAMIDE PIERRE FABRE S.A. (FR) 1976-03-02 US disclosed
US-3940490-A N-ALKYL-5-BROMO-ORTHO-CRESOTAMIDES, ANTICONVULSANT PIERRE FABRE S.A. (FR) 1976-02-24 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 (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 KDR 948/4885KDM4E 2918/4885PKM 4392/4885

“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.