SCHEMBL16259498

SCHEMBL16259498

Cc1ccccc1-c1c(C)c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cn1CC1CC1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 2/20 0.58
PDE7A Q13946 2/20 0.40
ELANE P08246 1/20 0.40
PDE4A P27815 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
S1PR1 P21453 2/20 0.38
GPR27 Q9NS67 2/20 0.38
AVPR2 P30518 1/20 0.38
SMO Q99835 1/20 0.37
KDM4E B2RXH2 1/20 0.37
RORC P51449 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL2438516 0.91 NR3C2 (0.56) NR3C2PDE7AELANEPDE4AS1PR1
SCHEMBL1382075 0.88 NR3C2 (0.76) NR3C2PDE7AELANEPDE4AMAOA
SCHEMBL1383401 0.85 NR3C2 (0.78) NR3C2PDE7APDE4AMAOAMAOB
SCHEMBL1380260 0.83 NR3C2 (0.61) NR3C2PDE7AMEN1KMT2A
SCHEMBL14066733 0.83 NR3C2 (0.68) NR3C2PDE7APDE4AMAOAMAOB
SCHEMBL2439013 0.82 NR3C2 (0.59) NR3C2MAOAMAOBGPR27AVPR2
SCHEMBL1383720 0.82 NR3C2 (0.60) NR3C2MEN1KMT2A
SCHEMBL1379442 0.81 NR3C2 (0.62) NR3C2PDE7AAVPR2MEN1KMT2A
SCHEMBL1381640 0.81 NR3C2 (0.61) NR3C2PDE7APDE4AMAOAMAOB
SCHEMBL1384601 0.81 NR3C2 (0.61) NR3C2PDE7APDE4AMAOAMAOB

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 2 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-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 (1 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 NR3C2 33/4885PDE7A 2259/4885ELANE 4026/4885

“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.