SCHEMBL15570951

SCHEMBL15570951

COC(=O)c1ccc(-c2c(C)n(C(=O)c3c(Cl)cccc3C(F)(F)F)c3ccccc23)c(F)c1

nearest known ligand 0.82

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RORC P51449 18/20 0.82
PPARG P37231 1/20 0.49
CYP3A4 P08684 1/20 0.46

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
SCHEMBL15570175 0.90 RORC (1.00) RORCPPARGCYP3A4
SCHEMBL16981929 0.89 RORC (0.65) RORCCYP3A4
SCHEMBL16981934 0.79 RORC (0.79) RORCPPARGCYP3A4
SCHEMBL19715002 0.79 RORC (0.55) RORCPPARG
SCHEMBL12470620 0.77 RORC (0.80) RORCPPARGCYP3A4
SCHEMBL12470430 0.77 RORC (0.81) RORCPPARG
SCHEMBL20706269 0.77 RORC (0.67) RORCCYP3A4
SCHEMBL17912581 0.77 RORC (0.59) RORCPPARG
SCHEMBL15566534 0.76 RORC (0.69) RORCCYP3A4
SCHEMBL15571769 0.76 RORC (0.76) RORCCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10196354-B2 4-heteroaryl substituted benzoic acid compounds as RORgammaT inhibitors and uses thereof MERCK SHARP & DOHME CORP. (US) 2019-02-05 US disclosed
US-10196354-B2 4-heteroaryl substituted benzoic acid compounds as RORgammaT inhibitors and uses thereof MERCK SHARP & DOHME CORP. (US) 2019-02-05 US disclosed
EP-2884981-B1 4-HETEROARYL SUBSTITUTED BENZOIC ACID COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME (US) 2018-06-20 EP disclosed
US-20180022701-A1 4-HETEROARYL SUBSTITUTED BENZOIC ACID COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME LLC 2018-01-25 US disclosed
US-20180022701-A1 4-HETEROARYL SUBSTITUTED BENZOIC ACID COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME LLC 2018-01-25 US disclosed
US-9745265-B2 4-heteroaryl substituted benzoic acid compounds as RORgammaT inhibitors and uses thereof MERCK SHARP & DOHME CORP. (US) 2017-08-29 US disclosed
US-9745265-B2 4-heteroaryl substituted benzoic acid compounds as RORgammaT inhibitors and uses thereof MERCK SHARP & DOHME CORP. (US) 2017-08-29 US disclosed
US-20150218096-A1 4-HETEROARYL SUBSTITUTED BENZOIC ACID COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME LLC 2015-08-06 US disclosed
US-20150218096-A1 4-HETEROARYL SUBSTITUTED BENZOIC ACID COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME LLC 2015-08-06 US disclosed
EP-2884981-A2 4-HETEROARYL SUBSTITUTED BENZOIC ACID COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF Merck Sharp & Dohme Corp. (US) 2015-06-24 EP disclosed
WO-2014028589-A2 4-HETEROARYL SUBSTITUTED BENZOIC ACID COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2014-02-20 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 (3 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-10196354-B2 4-heteroaryl substituted benzoic acid compounds as RORgammaT inhibitors and uses thereof RORB, RORA, RORC RORC 3/4885PPARG 20/4885CYP3A4 379/4885
US-20180022701-A1 4-HETEROARYL SUBSTITUTED BENZOIC ACID COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF RORB, RORA, RORC RORC 3/4885PPARG 20/4885CYP3A4 379/4885
US-20150218096-A1 4-HETEROARYL SUBSTITUTED BENZOIC ACID COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF RORB, RORA, RORC RORC 3/4885PPARG 20/4885CYP3A4 379/4885

“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.