SCHEMBL13325347

SCHEMBL13325347

O=Cc1ccc(F)c2c(C(=O)C(=O)O)c[nH]c12

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 11/20 0.37
▸ TNF P01375 1/20 0.33

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
SCHEMBL13325422 0.87 ERN1 (0.36) ERN1TNF
SCHEMBL13325348 0.80 MEN1 (0.37) —
SCHEMBL12215154 0.79 TNF (0.35) TNF
SCHEMBL12513768 0.79 TNF (0.35) TNF
SCHEMBL12513704 0.75 TNF (0.33) TNF
SCHEMBL10267173 0.73 CYP2C19 (0.47) TNF
SCHEMBL25748801 0.70 TNF (0.37) TNF
SCHEMBL18614837 0.69 ALDH1A1 (0.41) TNF
SCHEMBL1558360 0.69 HTR2A (0.49) —
SCHEMBL14386121 0.69 KDM4E (0.33) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7714019-B2 Indole, azaindole and related heterocyclic pyrrolidine derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-11 — — US disclosed
US-7714019-B2 Indole, azaindole and related heterocyclic pyrrolidine derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-11 — — US disclosed
US-20090186933-A1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC PYRROLIDINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2009-07-23 — — US disclosed
US-20090186933-A1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC PYRROLIDINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2009-07-23 — — US disclosed
US-7531552-B2 Indole, azaindole and related heterocyclic pyrrolidine derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2009-05-12 — — US disclosed
US-7531552-B2 Indole, azaindole and related heterocyclic pyrrolidine derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2009-05-12 — — US disclosed
EP-1474135-B9 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC PYRROLIDINE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2008-08-06 — — EP disclosed
US-20080096912-A1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC PYRROLIDINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2008-04-24 — — US disclosed
US-20080096912-A1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC PYRROLIDINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2008-04-24 — — US disclosed
EP-1474135-B1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC PYRROLIDINE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2007-11-21 — — EP 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 (2 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-20080096912-A1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC PYRROLIDINE DERIVATIVES IDO1, IDO2, INMT ERN1 4134/4885TNF 562/4885
US-20090186933-A1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC PYRROLIDINE DERIVATIVES IDO1, IDO2, INMT ERN1 4134/4885TNF 562/4885

“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.

Send feedback