SCHEMBL16004457

SCHEMBL16004457

COC(=O)NC(C(=O)N1CC2(C[C@H]1c1ncc(-c3ccc(Br)cc3)[nH]1)OCCO2)C(C)C

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.61
CYP2C9 P11712 6/20 0.61
KCNH2 Q12809 3/20 0.61
NR1I2 O75469 2/20 0.61
ABCB11 O95342 1/20 0.61
OPRK1 P41145 1/20 0.61
CYP1A2 P05177 3/20 0.55
CYP2D6 P10635 2/20 0.54
PRCP P42785 1/20 0.35
ABL1 P00519 1/20 0.34
BCR P11274 1/20 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
SCHEMBL2706696 1.00 CYP3A4 (0.61) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL206035 1.00 CYP3A4 (0.61) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL19339693 1.00 CYP3A4 (0.61) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL205542 0.95 CYP3A4 (0.67) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL13070993 0.95 CYP3A4 (0.67) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL205543 0.95 CYP3A4 (0.67) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL15993131 0.95 CYP3A4 (0.67) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL19318807 0.94 CYP3A4 (0.53) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL19318708 0.93 CYP3A4 (0.58) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL19323321 0.93 CYP3A4 (0.58) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS CHANGZHOU YINSHENG PHARMACEUTICAL CO., LTD. (CN) 2017-09-07 US disclosed
US-9511056-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2016-12-06 US disclosed
EP-3002281-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2016-04-06 EP disclosed
US-20140249074-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2014-09-04 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 (2 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-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS HAVCR2, HCCS, LIPC CYP3A4 177/4885CYP2C9 519/4885KCNH2 4324/4885
US-20140249074-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.