SCHEMBL3714677

SCHEMBL3714677

C=C(C)CC(NC(=O)OC(C)(C)C)C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
KLK5 Q9Y337 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
CTSK P43235 8/20 0.42
CTSS P25774 6/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CYP2D6 P10635 1/20 0.41
CTSL P07711 2/20 0.40
CTSB P07858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
CA12 O43570 1/20 0.39

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
SCHEMBL3714678 1.00 NFKB1 (0.43) NFKB1NFKB2RELAKLK5CYP1A2
SCHEMBL19696792 0.92 CYP1A2 (0.43) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL19696791 0.92 CYP1A2 (0.43) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL31757805 0.88 CYP1A2 (0.57) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL12935866 0.87 CTSS (0.46) NFKB1NFKB2RELAKLK5CYP1A2
SCHEMBL15454157 0.87 CYP1A2 (0.44) NFKB1NFKB2RELAKLK5CYP1A2
SCHEMBL165346 0.87 CYP1A2 (0.44) NFKB1NFKB2RELAKLK5CYP1A2
SCHEMBL2617214 0.86 KLK5 (0.42) NFKB1NFKB2RELAKLK5CYP1A2
SCHEMBL2156607 0.85 CTSS (0.47) CTSKCTSSCA1CA2CA7
SCHEMBL7208742 0.85 CTSS (0.47) CTSKCTSSCA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116438160-A Carbamoyl compounds for the treatment of viral infections 豪夫迈·罗氏有限公司 2023-07-14 CN disclosed
EP-3099300-B1 ARYL LACTAM KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-09-05 EP disclosed
US-20160333006-A1 ARYL LACTA KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-11-17 US disclosed
EP-2880032-B1 ARYL LACTAM KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-10-05 EP disclosed
US-8901305-B2 Aryl lactam kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-12-02 US disclosed
US-20140038999-A1 Aryl Lactam Kinase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2014-02-06 US disclosed
WO-2010091164-A1 INHIBITORS OF GLUCOSYLCERAMIDE SYNTHASE EXELIXIS, INC. (US) 2010-08-12 WO disclosed
US-6762198-B2 SUCH AS 2-((4'-METHOXY-(1,1'-BIPHENYL)-4-YL)-SULFONYL)-AMINO-3-(2-PHENOXYMETHYL -(1,3)DIOXAN-2-YL)PROPIONIC ACID THE PROCTER & GAMBLE COMPANY 2004-07-13 US disclosed
US-20030225074-A1 Dihetero-substituted metalloprotease inhibitors THE PROCTER & GAMBLE COMPANY 2003-12-04 US disclosed
US-6566381-B1 For therapy of arthritis, cancer, cardiovascular disorder, skin disorder, ocular disorder, inflammation and gum disease THE PROCTER & GAMBLE COMPANY 2003-05-20 US disclosed
EP-1165530-A2 DIHETERO-SUBSTITUTED METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2002-01-02 EP disclosed
WO-2000051993-A2 DIHETERO-SUBSTITUTED METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2000-09-08 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-20140038999-A1 Aryl Lactam Kinase Inhibitors AAK1, ADCK1, ANKK1 NFKB1 972/4885NFKB2 817/4885RELA 1934/4885
US-20160333006-A1 ARYL LACTA KINASE INHIBITORS AAK1, NCK1, ANKK1 NFKB1 1258/4885NFKB2 994/4885RELA 2688/4885
US-20030225074-A1 Dihetero-substituted metalloprotease inhibitors ADAM9, ADAM17, ADAM8 NFKB1 2358/4885NFKB2 3026/4885RELA 2299/4885

“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.