SCHEMBL17026953

SCHEMBL17026953

CCC1COc2cc(C(F)(F)F)ccc2N1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 9/20 0.48
▸ DAO P14920 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ MAP2K4 P45985 1/20 0.34
▸ KIF11 P52732 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ CREBBP Q92793 1/20 0.33
▸ NR3C1 P04150 1/20 0.33
▸ NR3C2 P08235 1/20 0.33
▸ TERT O14746 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
SCHEMBL17026814 0.81 AR (0.49) ARDAOMAP2K4KIF11TERT
SCHEMBL17026802 0.78 AR (0.41) ARNR3C1
SCHEMBL20804518 0.78 AR (0.40) ARDAOGAABRD4CREBBP
SCHEMBL17633634 0.75 KCNH2 (0.37) ARGAAMAP2K4
SCHEMBL1735450 0.74 AR (0.43) ARBRD4CREBBP
SCHEMBL31193465 0.74 AR (0.43) ARBRD4CREBBP
SCHEMBL31193443 0.74 AR (0.43) ARBRD4CREBBP
SCHEMBL12156896 0.74 AR (0.38) ARKIF11BRD4CREBBP
SCHEMBL1735446 0.74 AR (0.43) ARBRD4CREBBP
SCHEMBL11562399 0.74 KIF11 (0.37) ARDAOGAAMAP2K4KIF11

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-20170066717-A1 NEW PHENYLAZETIDINECARBOXYLATE OR -CARBOXAMIDE COMPOUNDS INVENTIVA (FR) 2017-03-09 — — US disclosed
EP-3107910-A1 NEW PHENYLAZETIDINE, CARBOXYLATE OR CARBOXAMIDE COMPOUNDS INVENTIVA (FR) 2016-12-28 — — EP disclosed
WO-2015124868-A1 NEW PHENYLAZETIDINE, CARBOXYLATE OR CARBOXAMIDE COMPOUNDS INVENTIVA (FR) 2015-08-27 — — WO 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-20170066717-A1 NEW PHENYLAZETIDINECARBOXYLATE OR -CARBOXAMIDE COMPOUNDS NCOR1, NCOR2, NCOA1 AR 148/4885DAO 3643/4885GAA 4276/4885

“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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