SCHEMBL16897516

SCHEMBL16897516

Cc1ccc(C2(C#N)CCC(=O)CC2)cc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.48
PDE4B Q07343 2/20 0.48
PDE4C Q08493 2/20 0.48
PDE4D Q08499 2/20 0.48
AKR1B10 O60218 1/20 0.39
AKR1C4 P17516 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39
OPRM1 P35372 5/20 0.37
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
NFKB1 P19838 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP1A2 P05177 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
SCHEMBL12897992 0.88 OPRM1 (0.42) AKR1B10AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL11823620 0.86 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DOPRM1
SCHEMBL2290702 0.86 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DOPRM1
SCHEMBL16897522 0.81 OPRM1 (0.38) AKR1B10AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL2290710 0.80 PDE4B (0.65) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL18854340 0.79 OPRM1 (0.37) PDE4APDE4BPDE4CPDE4DAKR1B10
SCHEMBL2290555 0.79 PDE4B (0.63) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL1559063 0.78 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DOPRM1
SCHEMBL11093941 0.78 OPRM1 (0.58) PDE4APDE4BPDE4CPDE4DOPRM1
SCHEMBL16906026 0.77 CYP1A2 (0.35) AKR1B10AKR1C4AKR1C3AKR1C2AKR1C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3092239-B1 ARYL SULTAM DERIVATIVES AS RORC MODULATORS HOFFMANN LA ROCHE (CH) 2019-10-02 EP disclosed
EP-3092239-B1 ARYL SULTAM DERIVATIVES AS RORC MODULATORS HOFFMANN LA ROCHE (CH) 2019-10-02 EP disclosed
US-10131644-B2 Aryl sultam derivatives as RORc modulators GENENTECH, INC. (US) 2018-11-20 US disclosed
US-20170137393-A1 ARYL SULTAM DERIVATIVES AS RORc MODULATORS GENENTECH, INC. (US) 2017-05-18 US disclosed
US-20170137393-A1 ARYL SULTAM DERIVATIVES AS RORc MODULATORS GENENTECH, INC. (US) 2017-05-18 US disclosed
US-20170137393-A1 ARYL SULTAM DERIVATIVES AS RORc MODULATORS GENENTECH, INC. (US) 2017-05-18 US disclosed
EP-3092239-A1 ARYL SULTAM DERIVATIVES AS RORc MODULATORS F. Hoffmann-La Roche AG (CH) 2016-11-16 EP disclosed
WO-2015104354-A1 ARYL SULTAM DERIVATIVES AS RORc MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2015-07-16 WO disclosed
WO-2015104354-A1 ARYL SULTAM DERIVATIVES AS RORc MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2015-07-16 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-10131644-B2 Aryl sultam derivatives as RORc modulators RORC, RORB, RORA PDE4A 1521/4885PDE4B 2389/4885PDE4C 1860/4885
US-20170137393-A1 ARYL SULTAM DERIVATIVES AS RORc MODULATORS RORC, RORB, RORA PDE4A 1521/4885PDE4B 2389/4885PDE4C 1860/4885

“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.