SCHEMBL19726649

SCHEMBL19726649

Cc1cccc(Cl)c1C(=O)c1cc(Br)c2ccc(C(=O)O)cn12

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 19/20 0.49
▸ CYP2C9 P11712 5/20 0.48
▸ CYP3A4 P08684 4/20 0.44
▸ CDK4 P11802 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C19 P33261 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
SCHEMBL19726646 0.87 RORC (0.53) RORCCYP2C9CYP3A4CYP2C19
SCHEMBL17912508 0.84 RORC (0.52) RORCCYP2C9CYP3A4CYP2C19
SCHEMBL19726644 0.81 RORC (0.42) RORCCYP2C9
SCHEMBL19726641 0.79 F2RL3 (0.44) RORCCYP2C9CYP3A4CYP1A2CYP2C19
SCHEMBL19726643 0.79 RORC (0.52) RORCCYP2C9CYP3A4
SCHEMBL17912679 0.74 RORC (0.54) RORCCYP2C9CYP3A4
SCHEMBL19726647 0.74 RORC (0.42) RORCCYP2C9
SCHEMBL17912591 0.73 RORC (0.61) RORCCYP2C9CYP3A4
SCHEMBL17912699 0.71 RORC (0.46) RORCCYP2C9CYP3A4CDK4CDK2
SCHEMBL17912672 0.71 RORC (0.55) RORCCYP2C9CYP3A4CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170362225-A1 BICYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF IMPETIS BIOSCIENCES LTD. (IN) 2017-12-21 — — 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-20170362225-A1 BICYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF RORC, RORA, RORB RORC 1/4885CYP2C9 298/4885CYP3A4 233/4885

“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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