SCHEMBL17298432

SCHEMBL17298432

COCOc1c(C)cc(OBO)cc1C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ PTPN1 P18031 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31

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
SCHEMBL23774990 0.80 SMN1; SMN2 (0.39) CA2PTPN1ALDH1A1
SCHEMBL17291956 0.74 PTGDR2 (0.35) PTPN1ALDH1A1
SCHEMBL18077844 0.74 PTPN1 (0.32) PTPN1ALDH1A1
SCHEMBL17292081 0.74 PTPN1 (0.35) PTPN1ALDH1A1
SCHEMBL16259713 0.72 CA2 (0.41) CA1CA2ALDH1A1
SCHEMBL8807107 0.70 ALDH1A1 (0.39) CA1CA2PTPN1ALDH1A1
SCHEMBL17298431 0.69 CA2 (0.61) CA1CA2ALDH1A1
SCHEMBL28734927 0.68 CA2 (0.46) CA1CA2ALDH1A1
SCHEMBL5086986 0.68 CYP2D6 (0.38) CA2ALDH1A1
SCHEMBL26624872 0.68 CYP2D6 (0.38) CA2ALDH1A1

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-9458104-B2 Carboxamide or sulfonamide substituted nitrogen-containing 5-membered heterocycles as modulators for the orphan nuclear receptor RORγ PHENEX PHARMACEUTICALS AG (DE) 2016-10-04 — — US disclosed
US-20150344423-A1 CARBOXAMIDE OR SULFONAMIDE SUBSTITUTED NITROGEN-CONTAINING 5-MEMBERED HETEROCYCLES AS MODULATORS FOR THE ORPHAN NUCLEAR RECEPTOR ROR GAMMA PHENEX PHARMACEUTICALS AG (DE) 2015-12-03 — — 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-20150344423-A1 CARBOXAMIDE OR SULFONAMIDE SUBSTITUTED NITROGEN-CONTAINING 5-MEMBERED HETEROCYCLES AS MODULATORS FOR THE ORPHAN NUCLEAR RECEPTOR ROR GAMMA RORA, RORB, RORC CA1 700/4885CA2 626/4885PTPN1 2325/4885

“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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