SCHEMBL5383271

SCHEMBL5383271

CCOC(=O)c1cnn(-c2ccc(F)c(C#N)c2)c1C(=O)OCC

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TSHR P16473 2/20 0.48
HTT P42858 2/20 0.47
RAB9A P51151 1/20 0.46
KDM4E B2RXH2 5/20 0.45
HPGD P15428 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 1/20 0.43
RECQL P46063 1/20 0.43
HSD17B10 Q99714 1/20 0.42
MAPT P10636 1/20 0.42
JMJD6 Q6NYC1 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
GAA P10253 1/20 0.41
TDP1 Q9NUW8 1/20 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
SCHEMBL5383266 0.94 HTT (0.46) ALDH1A1SMN1; SMN2TSHRHTTRAB9A
SCHEMBL5375408 0.81 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2TSHRHTTRAB9A
SCHEMBL3836461 0.78 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2HTTKDM4EHPGD
SCHEMBL5376137 0.77 SMN1; SMN2 (0.39) ALDH1A1SMN1; SMN2KDM4EHPGDPOLB
SCHEMBL5390665 0.77 TP53 (0.47) ALDH1A1SMN1; SMN2RAB9AKDM4EKMT2A
SCHEMBL6331934 0.76 PDE4B (0.44) ALDH1A1SMN1; SMN2HTTKDM4EKMT2A
SCHEMBL5390662 0.75 TP53 (0.48) ALDH1A1KDM4EKMT2APOLBMAPT
SCHEMBL10340707 0.75 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2TSHRRAB9AKDM4E
SCHEMBL7865070 0.74 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2TSHRHTTRAB9A
SCHEMBL7478866 0.74 ALOX5 (0.41) ALDH1A1SMN1; SMN2KDM4EPOLBMAPT

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
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
EP-0991638-B1 NOVEL GUANIDINE MIMICS AS FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2005-08-17 EP 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 606/4885SMN1; SMN2 2551/4885TSHR 2814/4885
US-20030069258-A1 Novel guanidine mimics factor Xa inhibitors TFPI, F11, F12 ALDH1A1 2218/4885SMN1; SMN2 2412/4885TSHR 2530/4885
US-20020025963-A1 Novel guanidine mimics as factor Xa inhibitors F11, SERPINC1, TFPI ALDH1A1 1803/4885SMN1; SMN2 1867/4885TSHR 2552/4885

“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.