SCHEMBL17680495

SCHEMBL17680495

C/C(F)=C/c1ccc(C#N)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FBP1 P09467 4/20 0.56
▸ ALDH1A1 P00352 6/20 0.44
▸ KDM4E B2RXH2 4/20 0.44
▸ LMNA P02545 3/20 0.44
▸ GAA P10253 1/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ PKM P14618 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ CYP2A6 P11509 2/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA3 P07451 1/20 0.43
▸ CA6 P23280 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ CA14 Q9ULX7 1/20 0.43
▸ NOS3 P29474 2/20 0.42
▸ NOS1 P29475 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ MAPT P10636 2/20 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
SCHEMBL26604322 0.83 FBP1 (0.50) FBP1ALDH1A1KDM4ELMNAGAA
SCHEMBL14198043 0.83 FBP1 (0.59) FBP1ALDH1A1KDM4ELMNAGAA
SCHEMBL18443084 0.79 FBP1 (0.47) FBP1ALDH1A1KDM4ELMNAGAA
SCHEMBL13267511 0.79 FBP1 (0.56) FBP1ALDH1A1KDM4ELMNAGAA
SCHEMBL18023350 0.79 FBP1 (0.56) FBP1ALDH1A1KDM4ELMNAGAA
SCHEMBL18443083 0.79 FBP1 (0.47) FBP1ALDH1A1KDM4ELMNAGAA
SCHEMBL19531661 0.79 FBP1 (0.47) FBP1ALDH1A1KDM4ELMNAGAA
SCHEMBL17680588 0.79 FBP1 (0.47) FBP1ALDH1A1KDM4ELMNAGAA
SCHEMBL3246531 0.76 AKR1C3 (0.62) FBP1ALDH1A1KDM4ELMNAKMT2A
SCHEMBL18172881 0.76 FBP1 (0.57) FBP1ALDH1A1KDM4ELMNAGAA

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-20180222876-A1 VINYL FLUORIDE CYCLOPROPYL FUSED THIAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE AMGEN INC. (US) 2018-08-09 — — US disclosed
US-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF WUXI APPTEC (SHANGHAI) CO. LTD (CN) 2017-11-02 — — US disclosed
WO-2016055028-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-04-14 — — 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 (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-20180222876-A1 VINYL FLUORIDE CYCLOPROPYL FUSED THIAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE BACE1, BACE2, APP FBP1 2169/4885ALDH1A1 1466/4885KDM4E 2378/4885
US-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, CREBBP, HDAC1 FBP1 1035/4885ALDH1A1 1533/4885KDM4E 387/4885

“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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