SCHEMBL14055308

SCHEMBL14055308

COC(=O)c1ccc(Cc2cc3nc(Cl)ccc3n2S(=O)(=O)c2ccc(C(C)C)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 5/20 0.44
▸ NOD1 Q9Y239 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ CA14 Q9ULX7 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ TBXA2R P21731 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ FBP1 P09467 1/20 0.37
▸ YTHDC1 Q96MU7 1/20 0.37
▸ CNR1 P21554 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ RORC P51449 1/20 0.35

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
SCHEMBL14054331 0.89 IDH1 (0.43) IDH1NOD1CA12CA1CA2
SCHEMBL14053889 0.85 IDH1 (0.40) IDH1CA12CA1CA2CA9
SCHEMBL14053290 0.79 CNR1 (0.39) IDH1CA12CA1CA2CA9
SCHEMBL14054804 0.79 RORC (0.39) IDH1CA12CA1CA2CA9
SCHEMBL2275980 0.79 SMN1; SMN2 (0.41) IDH1NOD1RORC
SCHEMBL3530082 0.76 PPARG (0.57) —
SCHEMBL3533511 0.76 NOD1 (0.41) NOD1KDM4E
SCHEMBL14054218 0.75 RORC (0.41) CA12CA1CA2CA9CA14
SCHEMBL12096941 0.74 PPARG (0.52) —
SCHEMBL2362775 0.74 RORC (0.39) IDH1NOD1YTHDC1RORC

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-8546385-B2 Benzoic pyrrolopyridine derivatives LABORATOIRES FOURNIER SA (FR) 2013-10-01 — — US disclosed
US-20120302560-A1 Novel Benzoic Pyrrolopyridine Derivatives LABORATOIRES FOURNIER SA (FR) 2012-11-29 — — 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-20120302560-A1 Novel Benzoic Pyrrolopyridine Derivatives NCOR1, NCOR2, NR0B1 IDH1 833/4885NOD1 1153/4885CA12 4782/4885

“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.

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