SCHEMBL3274409

SCHEMBL3274409

CCc1cc(C#N)ccc1S(=O)(=O)NCCC(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CA12 O43570 7/20 0.41
CA14 Q9ULX7 7/20 0.41
TRPV4 Q9HBA0 5/20 0.40
CA7 P43166 5/20 0.40
CA9 Q16790 4/20 0.40
DDR1 Q08345 1/20 0.39
BRPF1 P55201 2/20 0.38
CA2 P00918 2/20 0.38
CA1 P00915 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PRKD3 O94806 1/20 0.38
PRKCG P05129 1/20 0.38
PRKCB P05771 1/20 0.38
PRKCA P17252 1/20 0.38
PRKACA P17612 1/20 0.38
PRKACG P22612 1/20 0.38

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
SCHEMBL3274365 0.81 SMN1; SMN2 (0.46) ALDH1A1LMNASMN1; SMN2CA12CA14
SCHEMBL1338381 0.79 CYP19A1 (0.54) ALDH1A1LMNASMN1; SMN2CA12CA14
SCHEMBL3274018 0.76 CA12 (0.39) ALDH1A1SMN1; SMN2CA12CA14CA7
SCHEMBL1337452 0.75 TRPV4 (0.47) ALDH1A1LMNASMN1; SMN2TRPV4DDR1
SCHEMBL8409523 0.72 POLB (0.47) ALDH1A1SMN1; SMN2
SCHEMBL4712224 0.72 ALDH1A1 (0.60) ALDH1A1LMNASMN1; SMN2CYP2C9CYP2C19
SCHEMBL30309668 0.71 TRPV4 (0.50) ALDH1A1TRPV4BRPF1BRD1BRPF3
SCHEMBL20743464 0.71 TRPV4 (0.50) ALDH1A1TRPV4BRPF1BRD1BRPF3
SCHEMBL4709273 0.71 ALDH1A1 (0.58) ALDH1A1LMNASMN1; SMN2CYP2C9CYP2C19
SCHEMBL1336491 0.70 ALDH1A1 (0.49) ALDH1A1LMNASMN1; SMN2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087491-A1 POLYCYCLIC COMPOUNDS NOVARTIS AG (CH) 2010-04-08 US disclosed
EP-2081916-A1 OXADIAZOLE DERIVATIVES WITH ANTI-INFLAMMATORY AND IMMUNOSUPPRESSIVE PROPERTIES Novartis AG (CH) 2009-07-29 EP disclosed
WO-2008037476-A1 OXADIAZOLE DERIVATIVES WITH ANTI-INFLAMMATORY AND IMMUNOSUPPRESSIVE PROPERTIES NOVARTIS AG (CH) 2008-04-03 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 (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-20100087491-A1 POLYCYCLIC COMPOUNDS CD4, HLA-DRB1, MALT1 ALDH1A1 1060/4885LMNA 3650/4885SMN1; SMN2 1509/4885

“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.