SCHEMBL9977451

SCHEMBL9977451

CCC1C[C@@H](c2ncc(-c3ccc(Br)cc3)[nH]2)N(C(=O)[C@@H](NC(=O)OC)C(C)C)C1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.62
CYP2C9 P11712 6/20 0.62
KCNH2 Q12809 3/20 0.62
NR1I2 O75469 2/20 0.62
ABCB11 O95342 1/20 0.62
OPRK1 P41145 1/20 0.62
CYP1A2 P05177 3/20 0.59
CYP2D6 P10635 2/20 0.56
F11 P03951 3/20 0.39
F2 P00734 1/20 0.38
HDAC1 Q13547 1/20 0.35
ABL1 P00519 1/20 0.35
BCR P11274 1/20 0.35

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
SCHEMBL2710434 1.00 CYP3A4 (0.62) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL14793139 0.96 CYP3A4 (0.67) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL9980244 0.93 CYP3A4 (0.61) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL205607 0.93 CYP3A4 (0.61) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL2708503 0.93 CYP3A4 (0.61) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL15368170 0.91 CYP3A4 (0.50) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL204926 0.90 CYP3A4 (0.58) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL2706057 0.90 CYP3A4 (0.58) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL18418052 0.90 CYP3A4 (0.58) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL15346253 0.89 CYP2C9 (0.68) CYP3A4CYP2C9KCNH2NR1I2ABCB11

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 CYP3A4 1770/4885CYP2C9 3296/4885KCNH2 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.