SCHEMBL16267378

SCHEMBL16267378

CCCCCCCCCCCCSC(=S)SC(C)C(=O)OCCCO

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 9/20 0.39
EPHX1 P07099 2/20 0.38
NAAA Q02083 1/20 0.35
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
TSHR P16473 2/20 0.33

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
SCHEMBL28411727 0.93 ACHE (0.40) ACHEEPHX1NAAACA12CA1
SCHEMBL16870483 0.87 ACHE (0.37) ACHEEPHX1TSHR
SCHEMBL25616153 0.85 ACHE (0.38) ACHEEPHX1NAAACA12CA1
SCHEMBL16866707 0.84 ACHE (0.35) ACHEEPHX1CA12CA1CA2
SCHEMBL15158163 0.80 L3MBTL1 (0.38) ACHEEPHX1TSHR
SCHEMBL31539134 0.78 EPHX1 (0.45) ACHEEPHX1TSHR
SCHEMBL181033 0.78 EPHX1 (0.45) ACHEEPHX1TSHR
SCHEMBL3714955 0.77 CA1 (0.39) ACHEEPHX1CA1CA2
SCHEMBL25616501 0.76 DGKA (0.38) ACHEEPHX1NAAA
SCHEMBL28891385 0.76 ACHE (0.43) ACHEEPHX1NAAACA12CA1

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
EP-2810957-A1 Nitrile rubbers coupled with bisdihydropyrazole groups, production and use of the same LANXESS Deutschland GmbH (DE) 2014-12-10 EP disclosed
EP-2810956-A1 Nitrile rubbers coupled with bisdihydropyrazole groups, production and use of the same LANXESS Deutschland GmbH (DE) 2014-12-10 EP disclosed
US-20140357801-A1 Nitrile rubbers coupled via bisdihydropyrazole groups, production thereof and use thereof LANXESS DEUTSCHLAND GMBH (DE) 2014-12-04 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-20140357801-A1 Nitrile rubbers coupled via bisdihydropyrazole groups, production thereof and use thereof CYP2E1, NOS3, NOS2 ACHE 1194/4885EPHX1 206/4885NAAA 507/4885

“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.