SCHEMBL3312923

SCHEMBL3312923

COC(=O)C1(NC(=O)c2cccc3c2CCCC3)CCc2cc(OC)ccc2C1

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CXCR5 P32302 10/20 0.78
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
ADCY8 P40145 1/20 0.39
ADCY1 Q08828 1/20 0.39
MAPT P10636 1/20 0.38

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
SCHEMBL13328643 0.88 CXCR5 (0.61) CXCR5
SCHEMBL3304807 0.88 CXCR5 (1.00) CXCR5
SCHEMBL3304174 0.85 CXCR5 (0.77) CXCR5
SCHEMBL10910435 0.79 SMN1; SMN2 (0.49) CXCR5RAB9ASMN1; SMN2MAPT
SCHEMBL13328638 0.78 CXCR5 (0.61) CXCR5
SCHEMBL3307318 0.77 CXCR5 (0.70) CXCR5
SCHEMBL3309715 0.74 CXCR5 (0.69) CXCR5
SCHEMBL3303876 0.74 CXCR5 (1.00) CXCR5
SCHEMBL13328604 0.73 CXCR5 (0.43) CXCR5
SCHEMBL3308352 0.73 CXCR5 (0.83) CXCR5

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 2 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

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 1/4885NPC1 1496/4885RAB9A 972/4885

“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.