SCHEMBL15549705

SCHEMBL15549705

COC(C(=O)CBr)C1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.37
EPHX1 P07099 2/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
MMP2 P08253 2/20 0.35
CA9 Q16790 2/20 0.35
EPHX2 P34913 3/20 0.34
ALDH1A1 P00352 2/20 0.33
TP53 P04637 2/20 0.33
SHBG P04278 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL2689115 0.83 SHBG (0.39) NPSR1EPHX1CA12CA1CA2
SCHEMBL12981430 0.83 SHBG (0.39) NPSR1EPHX1CA12CA1CA2
SCHEMBL2685932 0.81 SHBG (0.35) NPSR1EPHX1CA12CA1CA2
SCHEMBL2465450 0.80 NAAA (0.37) NPSR1EPHX1CA12CA1CA2
SCHEMBL2686498 0.80 MMP2 (0.38) NPSR1EPHX1CA12CA1CA2
SCHEMBL2687691 0.79 NPSR1 (0.39) NPSR1EPHX1CA12CA1CA2
SCHEMBL2687432 0.78 MMP2 (0.35) NPSR1EPHX1CA12CA1CA2
SCHEMBL2687861 0.78 NAAA (0.35) NPSR1EPHX1CA12CA1CA2
SCHEMBL1275733 0.77 GAA (0.37) NPSR1EPHX1CA12CA1CA2
SCHEMBL1703353 0.77 CA12 (0.41) NPSR1EPHX1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10301272-B2 Carboxamide or sulfonamide substituted thiazoles and related derivatives as modulators for the orphan nuclear receptor ROR[γ] PHENEX PHARMACEUTICALS AG (DE) 2019-05-28 US disclosed
US-20150175562-A1 CARBOXAMIDE OR SULFONAMIDE SUBSTITUTED THIAZOLES AND RELATED DERIVATIVES AS MODULATORS FOR THE ORPHAN NUCLEAR RECEPTOR ROR[GAMMA] PHENEX PHARMACEUTICALS AG (DE) 2015-06-25 US disclosed
EP-2855440-A1 CARBOXAMIDE OR SULFONAMIDE SUBSTITUTED THIAZOLES AND RELATED DERIVATIVES AS MODULATORS FOR THE ORPHAN NUCLEAR RECEPTOR ROR[GAMMA] Phenex Pharmaceuticals AG (DE) 2015-04-08 EP disclosed
WO-2013178362-A1 CARBOXAMIDE OR SULFONAMIDE SUBSTITUTED THIAZOLES AND RELATED DERIVATIVES AS MODULATORS FOR THE ORPHAN NUCLEAR RECEPTOR ROR[GAMMA] PHENEX PHARMACEUTICALS AG (DE) 2013-12-05 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-20150175562-A1 CARBOXAMIDE OR SULFONAMIDE SUBSTITUTED THIAZOLES AND RELATED DERIVATIVES AS MODULATORS FOR THE ORPHAN NUCLEAR RECEPTOR ROR[GAMMA] RORA, RORB, RORC NPSR1 149/4885EPHX1 2749/4885CA12 799/4885
US-10301272-B2 Carboxamide or sulfonamide substituted thiazoles and related derivatives as modulators for the orphan nuclear receptor ROR[γ] RORA, RORB, RORC NPSR1 140/4885EPHX1 2709/4885CA12 916/4885

“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.