SCHEMBL3104099

SCHEMBL3104099

COC(=O)Cc1ccc(F)c(C#N)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
ALDH1A1 P00352 1/20 0.48
GFER P55789 1/20 0.48
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
HSP90AB1 P08238 1/20 0.44
CACNA1H O95180 3/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.43
GLA P06280 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HPGD P15428 2/20 0.42
TSHR P16473 1/20 0.42
PDK2 Q15119 1/20 0.41
DPP4 P27487 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
S1PR1 P21453 1/20 0.40

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
SCHEMBL5360300 0.88 GAA (0.48) GAAALDH1A1GFERCYP4F2CYP4A11
SCHEMBL30154495 0.88 GAA (0.48) GAAALDH1A1GFERCYP4F2CYP4A11
SCHEMBL12985044 0.85 MAPT (0.42) GAAALDH1A1CACNA1HMAPTKDM4E
SCHEMBL19899947 0.85 RAB9A (0.46) GAAALDH1A1MAPTKDM4ECYP1A2
SCHEMBL2988579 0.84 CACNA1H (0.45) ALDH1A1CYP4F2CYP4A11CACNA1HGLA
SCHEMBL13665106 0.83 GAA (0.60) GAAALDH1A1GFERCYP4F2CYP4A11
SCHEMBL20045089 0.83 GAA (0.49) GAAALDH1A1GFERCYP4F2CYP4A11
SCHEMBL23832277 0.82 GAA (0.48) GAAALDH1A1GFERCYP4F2CYP4A11
SCHEMBL5739424 0.82 ALDH1A1 (0.55) GAAALDH1A1GFERCYP4F2CYP4A11
SCHEMBL13610493 0.82 GAA (0.59) GAAALDH1A1GFERCYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110143945-A A kind of simple and convenient process for preparing of 4- substituent group methyl-1-(2H) phthalazone 新发药业有限公司 2019-08-20 CN disclosed
US-8362056-B2 4-heteroaryl-substituted phenoxyphenylacetic acid derivatives ARRAY BIOPHARMA INC. (US) 2013-01-29 US disclosed
EP-2455105-A2 Bombesin analogues Bayer Pharma Aktiengesellschaft (DE) 2012-05-23 EP disclosed
EP-2289564-A2 Derivatives of aniline as precursors for F18-labeling Bayer Schering Pharma Aktiengesellschaft (DE) 2011-03-02 EP disclosed
EP-2279759-A2 Compounds and methods for 18F labeled agents Bayer Schering Pharma Aktiengesellschaft (DE) 2011-02-02 EP disclosed
US-20100273850-A1 4-HETEROARYL-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES ARRAY BIOPHARMA, INC. 2010-10-28 US disclosed
WO-2009061730-A2 4-HETEROARYL-SUBSTITUTED PHENOXYPHENYLACETIC ACID ARRAY BIOPHARMA INC. (US) 2009-05-14 WO disclosed
US-20080292548-A1 COMPOUNDS AND METHODS FOR 18F LABELED AGENTS Lantheus Biosciences Ltd. (GB) 2008-11-27 US disclosed
EP-1985624-A2 Single step method of radiofluorination of biologically active compounds or biomolecules Bayer Schering Pharma Aktiengesellschaft (DE) 2008-10-29 EP disclosed
WO-2008028688-A2 COMPOUNDS AND METHODS FOR 18F LABELED AGENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-13 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-20100273850-A1 4-HETEROARYL-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES CD22, HRH2, PTGDR2 GAA 2244/4885ALDH1A1 348/4885GFER 3126/4885
US-20080292548-A1 COMPOUNDS AND METHODS FOR 18F LABELED AGENTS QPCT, GBA2, GBA1 GAA 37/4885ALDH1A1 2019/4885GFER 2579/4885

“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.