SCHEMBL21854750

SCHEMBL21854750

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

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.49
CYP2C9 P11712 4/20 0.49
KCNH2 Q12809 3/20 0.49
NR1I2 O75469 2/20 0.49
ABCB11 O95342 1/20 0.49
OPRK1 P41145 1/20 0.49
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 1/20 0.45
PRCP P42785 2/20 0.36
OPRM1 P35372 2/20 0.34
OPRD1 P41143 2/20 0.34
HDAC1 Q13547 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
SCHEMBL749261 1.00 CYP3A4 (0.49) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL19339693 0.92 CYP3A4 (0.61) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL2706696 0.92 CYP3A4 (0.61) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL206035 0.92 CYP3A4 (0.61) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL16004457 0.92 CYP3A4 (0.61) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL16001606 0.90 CYP3A4 (0.63) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL12098682 0.88 CYP3A4 (0.52) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL3477648 0.88 CYP3A4 (0.52) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL8751383 0.88 CYP3A4 (0.41) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL12098768 0.88 CYP3A4 (0.49) 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-20200123132-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC 2020-04-23 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-20200123132-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.