SCHEMBL3309481

SCHEMBL3309481

O=C(NC1(C(=O)O)Cc2ccccc2C1)c1ccc2ccccc2c1O

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CXCR5 P32302 15/20 0.74
LDHA P00338 1/20 0.51
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
PYGL P06737 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL3310747 0.85 CXCR5 (1.00) CXCR5
SCHEMBL3310224 0.83 CXCR5 (0.53) CXCR5LDHAKDM4EMEN1LMNA
SCHEMBL3308985 0.80 CXCR5 (0.73) CXCR5
SCHEMBL3309864 0.78 CXCR5 (1.00) CXCR5
SCHEMBL3314239 0.78 CXCR5 (0.69) CXCR5
SCHEMBL3314175 0.78 CXCR5 (0.72) CXCR5PYGLCYP2C9
SCHEMBL10290187 0.76 KMT2A (0.49) LDHAKDM4EMEN1LMNAMAPT
SCHEMBL3309293 0.75 CXCR5 (1.00) CXCR5LMNA
SCHEMBL485604 0.74 CXCR2 (0.51) LDHAKDM4EMEN1LMNAMAPT
SCHEMBL3303886 0.74 CXCR5 (0.62) CXCR5KDM4ELMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101679346-B Substituted benzoylamino-indan-2-carboxylic acids and related compounds SANOFI-AVENTIS (FR) 2014-10-22 CN 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-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
CN-101679346-A substituted benzoylamino-indan-2-carboxylic acids and related compounds SANOFI AVENTIS 2010-03-24 CN 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 1/4885LDHA 3631/4885KDM4E 2918/4885

“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.