SCHEMBL17981573

SCHEMBL17981573

O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3CC3)c3c2CCCC3)cc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 20/20 1.00
▸ PPARG P37231 1/20 0.53

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
SCHEMBL17981668 0.85 RORC (1.00) RORC
SCHEMBL17977600 0.84 RORC (0.73) RORCPPARG
SCHEMBL17978022 0.78 RORC (1.00) RORC
SCHEMBL17981533 0.78 RORC (1.00) RORC
SCHEMBL17977764 0.78 RORC (0.63) RORC
SCHEMBL17981645 0.77 RORC (0.67) RORC
SCHEMBL17981667 0.77 RORC (1.00) RORC
SCHEMBL18797263 0.77 RORC (0.96) RORC
SCHEMBL22746198 0.76 RORC (0.66) RORC
SCHEMBL19768769 0.76 RORC (0.66) RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3256450-B1 SUBSTITUTED PYRAZOLE COMPOUNDS AS ROR-GAMMA-T INHIBITORS AND USES THEREOF MERCK SHARP & DOHME (US) 2020-12-02 — — EP claimed
US-10221142-B2 Substituted pyrazole compounds as RORgammaT inhibitors and uses thereof MERCK SHARP & DOHME CORP. (US) 2019-03-05 — — US claimed
US-20180016239-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME LLC 2018-01-18 — — US claimed
EP-3256450-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS RORGAMMAT INHIBITORS AND USES THEREOF Merck Sharp & Dohme Corp. (US) 2017-12-20 — — EP claimed
WO-2016130818-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2016-08-18 — — WO claimed
EP-3256450-B1 SUBSTITUTED PYRAZOLE COMPOUNDS AS ROR-GAMMA-T INHIBITORS AND USES THEREOF MERCK SHARP & DOHME (US) 2020-12-02 — — EP disclosed
EP-3256450-B1 SUBSTITUTED PYRAZOLE COMPOUNDS AS ROR-GAMMA-T INHIBITORS AND USES THEREOF MERCK SHARP & DOHME (US) 2020-12-02 — — EP disclosed
US-10221142-B2 Substituted pyrazole compounds as RORgammaT inhibitors and uses thereof MERCK SHARP & DOHME CORP. (US) 2019-03-05 — — US disclosed
US-10221142-B2 Substituted pyrazole compounds as RORgammaT inhibitors and uses thereof MERCK SHARP & DOHME CORP. (US) 2019-03-05 — — US disclosed
US-20180016239-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME LLC 2018-01-18 — — US disclosed
US-20180016239-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME LLC 2018-01-18 — — US disclosed
US-20180016239-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME LLC 2018-01-18 — — US disclosed
EP-3256450-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS RORGAMMAT INHIBITORS AND USES THEREOF Merck Sharp & Dohme Corp. (US) 2017-12-20 — — EP disclosed
WO-2016130818-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2016-08-18 — — WO 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-20180016239-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF RORB, RORA, RORC RORC 3/4885PPARG 52/4885
US-10221142-B2 Substituted pyrazole compounds as RORgammaT inhibitors and uses thereof RORB, RORA, RORC RORC 3/4885PPARG 52/4885

“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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