SCHEMBL4185396

SCHEMBL4185396

COc1ccc(NS(=O)(=O)C(C#N)=Cc2cc(C)ccc2C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
HPGD P15428 2/20 0.53
LMNA P02545 2/20 0.53
PKM P14618 3/20 0.49
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
POLB P06746 2/20 0.43
FFAR4 Q5NUL3 2/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
IDH1 O75874 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
BRD4 O60885 1/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
RAB9A P51151 2/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39

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
SCHEMBL4185392 1.00 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2HPGDLMNAPKM
SCHEMBL4185383 1.00 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2HPGDLMNAPKM
SCHEMBL4182895 0.85 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2HPGDLMNAMEN1
SCHEMBL4177236 0.85 LMNA (0.41) ALDH1A1SMN1; SMN2HPGDLMNAPKM
SCHEMBL4182897 0.85 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2HPGDLMNAMEN1
SCHEMBL4177239 0.85 LMNA (0.41) ALDH1A1SMN1; SMN2HPGDLMNAPKM
SCHEMBL4177232 0.85 LMNA (0.41) ALDH1A1SMN1; SMN2HPGDLMNAPKM
SCHEMBL4182894 0.85 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2HPGDLMNAMEN1
SCHEMBL4179521 0.83 HPGD (0.52) ALDH1A1SMN1; SMN2HPGDLMNAPKM
SCHEMBL4179522 0.83 HPGD (0.52) ALDH1A1SMN1; SMN2HPGDLMNAPKM

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-20090191193-A1 Aryl Vinyl Sulfides, Sulfones, Sulfoxides and Sulfonamides, Derivatives Thereof and Therapeutic Uses Thereof TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-07-30 US claimed
US-20090191193-A1 Aryl Vinyl Sulfides, Sulfones, Sulfoxides and Sulfonamides, Derivatives Thereof and Therapeutic Uses Thereof TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-07-30 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-20090191193-A1 Aryl Vinyl Sulfides, Sulfones, Sulfoxides and Sulfonamides, Derivatives Thereof and Therapeutic Uses Thereof ARSA, STS, SULT2A1 ALDH1A1 249/4885SMN1; SMN2 448/4885HPGD 2134/4885

“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.