SCHEMBL5384366

SCHEMBL5384366

CCOC(=O)C(=O)c1ccc(F)c(C#N)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
MAPT P10636 5/20 0.40
VNN1 O95497 1/20 0.40
GPR35 Q9HC97 1/20 0.40
HPGD P15428 1/20 0.39
GRM5 P41594 1/20 0.38
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
CNR2 P34972 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL7691254 0.85 ALDH1A1 (0.44) ALDH1A1GAAL3MBTL1MAPTVNN1
SCHEMBL7691256 0.85 ALDH1A1 (0.44) ALDH1A1GAAL3MBTL1MAPTVNN1
SCHEMBL3184223 0.82 CES2 (0.60) ALDH1A1L3MBTL1CES2CES1MAPT
SCHEMBL22557054 0.81 ALDH1A1 (0.49) ALDH1A1GAAL3MBTL1MAPTVNN1
SCHEMBL17466069 0.80 CES2 (0.44) ALDH1A1GAAL3MBTL1CES2CES1
SCHEMBL26750873 0.79 F2 (0.40) ALDH1A1GAAL3MBTL1MAPTVNN1
SCHEMBL7647820 0.78 MAPT (0.46) ALDH1A1CES2CES1MAPTMEN1
SCHEMBL20646856 0.77 MAPT (0.47) ALDH1A1GAAL3MBTL1CES2CES1
SCHEMBL11229733 0.77 PTGDR2 (0.40) ALDH1A1GAAL3MBTL1MAPTHPGD
SCHEMBL16068652 0.77 HSD17B2 (0.50) ALDH1A1MEN1KMT2AKDM4E

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-7235575-B2 Guanidine mimics as factor Xa inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2007-06-26 US disclosed
US-20060040973-A1 1-Aminoisoindolyl derivatives and 3-amino- and 3-hydroxy- indazolyl-, benzisoxazolyl, and benzisothiazolyl- derivatives, e.g., 3-(3'-Aminobenzisoxazol-5'-yl)-5-[(2'-aminosulfonyl-[1,1']-biphen-4-yl)aminocarbonyl]-5-methylisoxazoline; treating thromboembolic disorders LAM PATRICK Y 2006-02-23 US disclosed
US-6958356-B2 Guanidine mimics factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-10-25 US disclosed
US-6906070-B2 Anticoagulants BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-06-14 US disclosed
US-20030069258-A1 Novel guanidine mimics factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-04-10 US disclosed
US-20020025963-A1 Novel guanidine mimics as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-02-28 US disclosed
US-6339099-B1 FOR THERAPY AND PROPHYLAXIS OF THROMBOEMBOLIC DISORDER DUPONT PHARMACEUTICALS COMPANY 2002-01-15 US disclosed
EP-0991638-A1 NOVEL GUANIDINE MIMICS AS FACTOR Xa INHIBITORS Du Pont Pharmaceuticals Company (US) 2000-04-12 EP disclosed
WO-1998057951-A1 NOVEL GUANIDINE MIMICS AS FACTOR Xa INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1998-12-23 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 (3 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-20060040973-A1 1-Aminoisoindolyl derivatives and 3-amino- and 3-hydroxy- indazolyl-, benzisoxazolyl, and benzisothiazolyl- derivatives, e.g., 3-(3'-Aminobenzisoxazol-5'-yl)-5-[(2'-aminosulfonyl-[1,1']-biphen-4-yl)aminocarbonyl]-5-methylisoxazoline; treating thromboembolic disorders SERPINC1, F7, SERPINE1 ALDH1A1 606/4885GAA 1324/4885L3MBTL1 1334/4885
US-20030069258-A1 Novel guanidine mimics factor Xa inhibitors TFPI, F11, F12 ALDH1A1 2218/4885GAA 716/4885L3MBTL1 1959/4885
US-20020025963-A1 Novel guanidine mimics as factor Xa inhibitors F11, SERPINC1, TFPI ALDH1A1 1803/4885GAA 421/4885L3MBTL1 1962/4885

“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.