SCHEMBL18650601

SCHEMBL18650601

Cc1ccc(-c2ccc(C(F)(F)[C@](C)(C#N)c3ccc(F)cc3F)nc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 14/20 0.46
▸ CYP2C19 P33261 8/20 0.46
▸ CYP2C9 P11712 7/20 0.44
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP11B1 P15538 1/20 0.38
▸ CYP11B2 P19099 1/20 0.38
▸ AR P10275 1/20 0.36
▸ KIF11 P52732 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ CYP17A1 P05093 1/20 0.33

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
SCHEMBL18650600 0.94 CYP3A4 (0.40) CYP3A4CYP2C19CYP2C9CYP1A2CYP2D6
SCHEMBL18650594 0.83 CYP3A4 (0.44) CYP3A4CYP2C19CYP2C9CYP1A2CYP2D6
SCHEMBL18884227 0.81 CYP3A4 (0.44) CYP3A4CYP2C19CYP2C9CYP1A2CYP2D6
SCHEMBL18884226 0.81 CYP3A4 (0.44) CYP3A4CYP2C19CYP2C9CYP1A2CYP2D6
SCHEMBL18650593 0.77 CYP3A4 (0.38) CYP3A4CYP2C19CYP2C9CYP1A2CYP2D6
SCHEMBL18655741 0.77 CYP3A4 (0.59) CYP3A4CYP2C19CYP2C9CYP1A2CYP2D6
SCHEMBL18655753 0.77 CYP3A4 (0.59) CYP3A4CYP2C19CYP2C9CYP1A2CYP2D6
SCHEMBL11913026 0.76 CYP3A4 (0.56) CYP3A4CYP2C19CYP2C9CYP1A2CYP2D6
SCHEMBL18655737 0.76 CYP3A4 (0.60) CYP3A4CYP2C19CYP2C9CYP1A2CYP2D6
SCHEMBL18650598 0.76 CYP3A4 (0.60) CYP3A4CYP2C19CYP2C9CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9802914-B2 Antifungal compound process VIAMET PHARMACEUTICALS, INC. (US) 2017-10-31 — — US disclosed
US-20170081310-A1 ANTIFUNGAL COMPOUND PROCESS Mycovia Pharmaceuticals, Inc. 2017-03-23 — — US disclosed
US-20170081309-A1 ANTIFUNGAL COMPOUND PROCESS Mycovia Pharmaceuticals, Inc. 2017-03-23 — — 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 (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-20170081310-A1 ANTIFUNGAL COMPOUND PROCESS ERG28, DPM1, CYP51A1 CYP3A4 19/4885CYP2C19 290/4885CYP2C9 307/4885
US-20170081309-A1 ANTIFUNGAL COMPOUND PROCESS ERG28, DPM1, CYP51A1 CYP3A4 13/4885CYP2C19 219/4885CYP2C9 243/4885

“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.

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