SCHEMBL16259658

SCHEMBL16259658

CCNS(=O)(=O)c1ccc(C(C)C)cc1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 4/20 0.40
ALDH1A1 P00352 6/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 1/20 0.39
GLA P06280 1/20 0.38
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36
F10 P00742 2/20 0.34
PRSS1 P07477 2/20 0.34
PRSS2 P07478 2/20 0.34
PRSS3 P35030 2/20 0.34
TSHR P16473 1/20 0.34
ALPL P05186 1/20 0.34
TRPV4 Q9HBA0 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
HPGD P15428 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
SCHEMBL16259627 0.88 CNR2 (0.44) ALDH1A1SMN1; SMN2HTT
SCHEMBL16259567 0.84 CA1 (0.38) GRIA4ALDH1A1SMN1; SMN2HTTF10
SCHEMBL15723279 0.82 PARG (0.44) GRIA4ALDH1A1SMN1; SMN2HTTTSHR
SCHEMBL15723299 0.81 CNR1 (0.40) GRIA4ALDH1A1SMN1; SMN2HTTKDM4E
SCHEMBL11951559 0.81 CA1 (0.48) ALDH1A1SMN1; SMN2HTTGLAKDM4E
SCHEMBL16259593 0.77 CNR2 (0.47) ALDH1A1SMN1; SMN2HTTCA1CA2
SCHEMBL16259542 0.77 TRPV4 (0.36) GRIA4ALDH1A1SMN1; SMN2HTTKDM4E
SCHEMBL16259565 0.77 PARG (0.42) GRIA4
SCHEMBL19590522 0.75 CNR2 (0.41) ALDH1A1SMN1; SMN2HTTCA1CA2
SCHEMBL16259618 0.74 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2HTTKDM4EGAA

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-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-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-8946446-B2 Pyrrolo sulfonamide compounds for modulation of orphan nuclear receptor RAR-related orphan receptor-γ (ROR-γ, NR1F3) activity and for the treatment of chronic inflammatory and autoimmune diseases PHENEX PHARMACEUTICALS AG (DE) 2015-02-03 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 (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-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 GRIA4 156/4885ALDH1A1 2097/4885SMN1; SMN2 3179/4885
US-20150175562-A1 CARBOXAMIDE OR SULFONAMIDE SUBSTITUTED THIAZOLES AND RELATED DERIVATIVES AS MODULATORS FOR THE ORPHAN NUCLEAR RECEPTOR ROR[GAMMA] RORA, RORB, RORC GRIA4 442/4885ALDH1A1 688/4885SMN1; SMN2 1481/4885

“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.