SCHEMBL16259586

SCHEMBL16259586

CC(C)NS(=O)(=O)c1ccc(C(C)C)cc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 12/20 0.38
CNR1 P21554 6/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
MMP7 P09237 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
HSD11B1 P28845 1/20 0.34

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
SCHEMBL19590524 0.88 FEN1 (0.38) CNR2CNR1MMP7SLC22A12HSD11B1
SCHEMBL19590523 0.88 FEN1 (0.38) CNR2CNR1MMP7SLC22A12HSD11B1
SCHEMBL16849238 0.88 CNR2 (0.36) CNR2CNR1ALDH1A1SMN1; SMN2MMP7
SCHEMBL16259583 0.87 MMP7 (0.36) CNR2CNR1MMP7SLC22A12HSD11B1
SCHEMBL17298385 0.85 NPSR1 (0.40) CNR2KDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL15723304 0.85 CNR1 (0.44) CNR2CNR1KDM4EALDH1A1SMN1; SMN2
SCHEMBL16261299 0.83 FFAR4 (0.42) CNR2CNR1KDM4EALDH1A1SMN1; SMN2
SCHEMBL17298384 0.82 CNR2 (0.40) CNR2CNR1
SCHEMBL16259627 0.82 CNR2 (0.44) CNR2CNR1ALDH1A1SMN1; SMN2
SCHEMBL3013193 0.82 PFKFB3 (0.44) CNR2CNR1KDM4EALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9815851-B2 Pyrrolo carboxamides as modulators of orphan nuclear receptor RAR-related orphan receptor-gamma (RORγ, NR1F3) activity and for the treatment of chronic inflammatory and autoimmune diseases PHENEX PHARMACEUTICALS AG (DE) 2017-11-14 US disclosed
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
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
US-20140349987-A1 PYRROLO CARBOXAMIDES AS MODULATORS OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (RORy, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASES PHENEX PHARMACEUTICALS AG (DE) 2014-11-27 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 (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-20140349987-A1 PYRROLO CARBOXAMIDES AS MODULATORS OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (RORy, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASES RORA, RORB, RORC CNR2 65/4885CNR1 59/4885KDM4E 2519/4885
US-20150175562-A1 CARBOXAMIDE OR SULFONAMIDE SUBSTITUTED THIAZOLES AND RELATED DERIVATIVES AS MODULATORS FOR THE ORPHAN NUCLEAR RECEPTOR ROR[GAMMA] RORA, RORB, RORC CNR2 71/4885CNR1 65/4885KDM4E 2241/4885
US-20150344423-A1 CARBOXAMIDE OR SULFONAMIDE SUBSTITUTED NITROGEN-CONTAINING 5-MEMBERED HETEROCYCLES AS MODULATORS FOR THE ORPHAN NUCLEAR RECEPTOR ROR GAMMA RORA, RORB, RORC CNR2 42/4885CNR1 40/4885KDM4E 1805/4885

“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.