SCHEMBL4179379

SCHEMBL4179379

COc1cc(/C=C(\C#N)S(=O)(=O)Cc2ccc(Cl)cc2Cl)cc(OC)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 4/20 0.45
▸ MAPT P10636 4/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ NQO1 P15559 1/20 0.41
▸ NQO2 P16083 1/20 0.41
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ ERBB2 P04626 3/20 0.39
▸ TUBB4A P04350 3/20 0.39
▸ TUBB P07437 3/20 0.39
▸ TUBA3C P0DPH7 3/20 0.39
▸ TUBA1B P68363 3/20 0.39
▸ TUBA4A P68366 3/20 0.39
▸ TUBB4B P68371 3/20 0.39
▸ TUBB3 Q13509 3/20 0.39
▸ TUBB2A Q13885 3/20 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
SCHEMBL4179381 1.00 EGFR (0.45) EGFRMAPTALDH1A1L3MBTL1POLB
SCHEMBL4179383 1.00 EGFR (0.45) EGFRMAPTALDH1A1L3MBTL1POLB
SCHEMBL4175209 0.89 CYP1A2 (0.46) EGFRMAPTALDH1A1CA12CA1
SCHEMBL4175212 0.89 CYP1A2 (0.46) EGFRMAPTALDH1A1CA12CA1
SCHEMBL4175216 0.89 CYP1A2 (0.46) EGFRMAPTALDH1A1CA12CA1
SCHEMBL4169957 0.85 KDM4E (0.41) MAPTALDH1A1L3MBTL1POLBCA12
SCHEMBL4169951 0.85 KDM4E (0.41) MAPTALDH1A1L3MBTL1POLBCA12
SCHEMBL4169956 0.85 KDM4E (0.41) MAPTALDH1A1L3MBTL1POLBCA12
SCHEMBL4183039 0.85 ALDH1A1 (0.48) EGFRMAPTALDH1A1POLBKDM4E
SCHEMBL4183034 0.85 ALDH1A1 (0.48) EGFRMAPTALDH1A1POLBKDM4E

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 EGFR 66/4885MAPT 3633/4885ALDH1A1 249/4885

“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.

Send feedback