SCHEMBL18650595

SCHEMBL18650595

Cc1ccc(-c2ccc(C(F)(F)C(=O)c3ccc(C)cc3F)nc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 2/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ MINK1 Q8N4C8 1/20 0.38
▸ PI4KB Q9UBF8 1/20 0.38
▸ PARP1 P09874 1/20 0.36
▸ LOXL2 Q9Y4K0 1/20 0.36
▸ PTGS2 P35354 3/20 0.35
▸ EGLN1 Q9GZT9 2/20 0.35
▸ DHODH Q02127 1/20 0.35
▸ WNT3A P56704 1/20 0.34
▸ PDK2 Q15119 1/20 0.34
▸ VEGFA P15692 1/20 0.34
▸ FLT1 P17948 1/20 0.34
▸ EGLN3 Q9H6Z9 1/20 0.34
▸ COMT P21964 1/20 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
SCHEMBL11913027 0.94 CES2 (0.40) MAP4K4PIK3CAKCNH2MINK1PI4KB
SCHEMBL17120565 0.84 CES2 (0.42) PTGS2DHODH
SCHEMBL23222498 0.84 CPS1 (0.37) LOXL2
SCHEMBL18655752 0.79 CYP3A4 (0.37) DHODH
SCHEMBL11917195 0.78 CYP3A4 (0.48) —
SCHEMBL20903514 0.78 GAA (0.40) —
SCHEMBL17113449 0.76 CYP3A4 (0.50) —
SCHEMBL23222499 0.76 SCN9A (0.38) —
SCHEMBL29061268 0.75 CYP3A4 (0.36) KCNH2
SCHEMBL18661269 0.74 CES2 (0.42) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10000465-B2 Antifungal compound process Mycovia Pharmaceuticals, Inc. (US) 2018-06-19 — — US disclosed
US-9981943-B2 Antifungal compound process Mycovia Pharmaceuticals, Inc. (US) 2018-05-29 — — US disclosed
US-9802914-B2 Antifungal compound process VIAMET PHARMACEUTICALS, INC. (US) 2017-10-31 — — US disclosed
US-20170144990-A1 ANTIFUNGAL COMPOUND PROCESS Mycovia Pharmaceuticals, Inc. 2017-05-25 — — US disclosed
US-20170144991-A1 ANTIFUNGAL COMPOUND PROCESS Mycovia Pharmaceuticals, Inc. 2017-05-25 — — US disclosed
US-20170088539-A1 ANTIFUNGAL COMPOUND PROCESS Mycovia Pharmaceuticals, Inc. 2017-03-30 — — US disclosed
US-20170088540-A1 ANTIFUNGAL COMPOUND PROCESS Mycovia Pharmaceuticals, Inc. 2017-03-30 — — US disclosed
US-20170081309-A1 ANTIFUNGAL COMPOUND PROCESS Mycovia Pharmaceuticals, Inc. 2017-03-23 — — US disclosed
US-20170081310-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 (7 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-10000465-B2 Antifungal compound process ERG28, DPM1, CYP51A1 MAP4K4 2226/4885PIK3CA 922/4885KCNH2 2433/4885
US-20170144991-A1 ANTIFUNGAL COMPOUND PROCESS ERG28, DPM1, CYP51A1 MAP4K4 2226/4885PIK3CA 922/4885KCNH2 2433/4885
US-20170144990-A1 ANTIFUNGAL COMPOUND PROCESS ERG28, DPM1, CYP51A1 MAP4K4 2226/4885PIK3CA 922/4885KCNH2 2433/4885
US-20170088540-A1 ANTIFUNGAL COMPOUND PROCESS ERG28, DPM1, CYP51A1 MAP4K4 2226/4885PIK3CA 922/4885KCNH2 2433/4885
US-20170081310-A1 ANTIFUNGAL COMPOUND PROCESS ERG28, DPM1, CYP51A1 MAP4K4 2226/4885PIK3CA 922/4885KCNH2 2433/4885
US-20170088539-A1 ANTIFUNGAL COMPOUND PROCESS ERG28, DPM1, CYP51A1 MAP4K4 2226/4885PIK3CA 922/4885KCNH2 2433/4885
US-20170081309-A1 ANTIFUNGAL COMPOUND PROCESS ERG28, DPM1, CYP51A1 MAP4K4 2209/4885PIK3CA 900/4885KCNH2 2419/4885

“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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