SCHEMBL14806539

SCHEMBL14806539

CCc1cc(OC(C)(C)C)cc(C#N)c1OC

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 3/20 0.33
▸ HPGD P15428 1/20 0.33
▸ IMPDH2 P12268 1/20 0.32
▸ NPC1 O15118 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ TP53 P04637 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ GPR35 Q9HC97 1/20 0.30
▸ PGR P06401 1/20 0.30

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
SCHEMBL14805638 0.80 SRC (0.42) ARHPGDIMPDH2
SCHEMBL10323392 0.71 HPGD (0.45) HPGDIMPDH2GPR35
SCHEMBL10322938 0.70 HPGD (0.41) HPGDIMPDH2NPC1RAB9AGPR35
SCHEMBL10323334 0.70 GAA (0.40) HPGDIMPDH2HSD17B10GPR35
SCHEMBL16122429 0.70 AR (0.33) ARPGR
SCHEMBL14805868 0.68 ALDH1A1 (0.54) ARIMPDH2NPC1RAB9ATP53
SCHEMBL25328775 0.68 GABRA1 (0.46) —
SCHEMBL13652097 0.67 NOS2 (0.51) ARHPGDNPC1RAB9ATP53
SCHEMBL21780744 0.67 NPC1 (0.47) ARNPC1RAB9ATP53HSD17B10
SCHEMBL20231243 0.67 TSHR (0.42) ARIMPDH2NPC1RAB9A

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-20130079323-A1 GYRASE INHIBITORS TRIUS THERAPEUTICS, INC. (US) 2013-03-28 — — 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-20130079323-A1 GYRASE INHIBITORS TOP1, CA7, TOP2B AR 2395/4885HPGD 1233/4885IMPDH2 1363/4885

“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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