SCHEMBL17147290

SCHEMBL17147290

C[C@@H](CC(=O)Nc1ccc(NC(=O)c2cscn2)cc1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 7/20 0.55
CYP2C8 P10632 4/20 0.55
CYP3A4 P08684 1/20 0.46
CBLB Q13191 1/20 0.46
CYP2D6 P10635 1/20 0.46
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 1/20 0.42
SOS1 Q07889 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
AURKA O14965 1/20 0.42
KMT2A Q03164 1/20 0.41
TACR1 P25103 1/20 0.41
GRM4 Q14833 1/20 0.41
BRAF P15056 1/20 0.41

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
SCHEMBL15701042 1.00 CYP2C9 (0.55) CYP2C9CYP2C8CYP3A4CBLBCYP2D6
SCHEMBL17147291 1.00 CYP2C9 (0.55) CYP2C9CYP2C8CYP3A4CBLBCYP2D6
SCHEMBL15701035 0.87 CSNK1D (0.50) CYP2C9CYP2C8KMT2A
SCHEMBL15701144 0.87 CASP3 (0.51) CYP2C9CYP2C8
SCHEMBL15701147 0.86 CYP2C9 (0.51) CYP2C9CYP2C8CYP3A4CBLBCYP2D6
SCHEMBL15701136 0.84 CYP2C9 (0.53) CYP2C9CYP2C8CYP3A4CBLBCYP2D6
SCHEMBL15701221 0.79 CYP2C9 (0.49) CYP2C9CYP2C8CYP3A4CYP2D6ALDH1A1
SCHEMBL19446737 0.78 KCNQ3 (0.48) CYP2C9CYP2C8CYP3A4CYP2D6KMT2A
SCHEMBL15707305 0.78 CYP2C9 (0.68) CYP2C9CYP2C8CYP3A4CYP2D6KMT2A
SCHEMBL15701081 0.77 CYP2C9 (0.52) CYP2C9CYP2C8CYP2D6ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2914592-B1 INHIBITORS OF CYTOMEGALOVIRUS BOEHRINGER INGELHEIM INT (DE) 2017-10-11 EP disclosed
US-9334249-B2 Inhibitors of cytomegalovirus BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-10 US disclosed
US-9334249-B2 Inhibitors of cytomegalovirus BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-10 US disclosed
US-20150284348-A1 INHIBITORS OF CYTOMEGALOVIRUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-08 US disclosed
US-20150284348-A1 INHIBITORS OF CYTOMEGALOVIRUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-08 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-20150284348-A1 INHIBITORS OF CYTOMEGALOVIRUS CDKN1A, CCNA1, IFNAR1 CYP2C9 2373/4885CYP2C8 2028/4885CYP3A4 1215/4885

“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.