SCHEMBL9980187

SCHEMBL9980187

Bc1ccc(-c2cnc([C@@H]3C[C@H](C#N)CN3C(=O)[C@H](CCS)NC(=O)OC)[nH]2)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.45
CYP3A4 P08684 4/20 0.45
KCNH2 Q12809 3/20 0.45
NR1I2 O75469 2/20 0.45
ABCB11 O95342 1/20 0.45
OPRK1 P41145 1/20 0.45
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 1/20 0.41
F11 P03951 3/20 0.37
F2 P00734 1/20 0.36
PRCP P42785 1/20 0.34
OPRM1 P35372 3/20 0.34
OPRD1 P41143 3/20 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
SCHEMBL13464891 0.86 CYP3A4 (0.61) CYP2C9CYP3A4KCNH2NR1I2ABCB11
SCHEMBL204507 0.82 CYP2C9 (0.43) CYP2C9CYP3A4KCNH2NR1I2ABCB11
SCHEMBL9980233 0.82 CYP2C9 (0.43) CYP2C9CYP3A4KCNH2NR1I2ABCB11
SCHEMBL9980192 0.81 CYP3A4 (0.48) CYP2C9CYP3A4KCNH2NR1I2ABCB11
SCHEMBL2756969 0.78 CYP3A4 (0.61) CYP2C9CYP3A4KCNH2NR1I2ABCB11
SCHEMBL2707990 0.78 CYP3A4 (0.61) CYP2C9CYP3A4KCNH2NR1I2ABCB11
SCHEMBL205945 0.78 CYP3A4 (0.61) CYP2C9CYP3A4KCNH2NR1I2ABCB11
SCHEMBL13070733 0.77 CYP3A4 (0.59) CYP2C9CYP3A4KCNH2NR1I2ABCB11
SCHEMBL9980194 0.76 CYP3A4 (0.50) CYP2C9CYP3A4KCNH2NR1I2ABCB11
SCHEMBL2756998 0.75 CYP3A4 (0.59) CYP2C9CYP3A4KCNH2NR1I2ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120157404-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-06-21 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-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CYP2C9 3296/4885CYP3A4 1770/4885KCNH2 4228/4885

“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.