SCHEMBL7701394

SCHEMBL7701394

COC(=O)C(C#N)CC(C)C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.40
MME P08473 2/20 0.38
TAS1R3 Q7RTX0 4/20 0.36
TAS1R1 Q7RTX1 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
CTSS P25774 3/20 0.34
CTSL P07711 2/20 0.34
CTSB P07858 2/20 0.34
CTSK P43235 2/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP7 P55210 1/20 0.34
BIRC2 Q13490 1/20 0.34
POLB P06746 1/20 0.34
CA14 Q9ULX7 1/20 0.33
FOLH1 Q04609 1/20 0.33

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
SCHEMBL4973862 0.82 CA1 (0.35) ANPEPSMN1; SMN2ALDH1A1TSHRMAPK1
SCHEMBL2637986 0.82 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1TSHRPOLB
SCHEMBL9743398 0.82 SMN1; SMN2 (0.32) ANPEPSMN1; SMN2ALDH1A1TSHRMAPK1
SCHEMBL11670845 0.80 CA1 (0.38) ANPEPSMN1; SMN2ALDH1A1TSHRMAPK1
SCHEMBL16006410 0.79 CA1 (0.35) SMN1; SMN2ALDH1A1
SCHEMBL16866506 0.78
SCHEMBL15268831 0.78
SCHEMBL7750328 0.77 ALDH1A1 (0.32) ANPEPALDH1A1TSHRPOLB
SCHEMBL16858307 0.77 SLC6A2 (0.31) CTSSCTSK
SCHEMBL29055524 0.77

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
EP-0938509-B1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE SPA (IT) 2002-11-20 EP claimed
US-6143684-A FOR STEREOSPECIFIC POLYMERIZATION OF OLEFINS SUCH AS PROPYLENE MONTELL TECHNOLOGY COMPANY B.V. (NL) 2000-11-07 US claimed
EP-0938509-A1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS Montell Technology Company bv (NL) 1999-09-01 EP claimed
WO-1999011677-A1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS MONTELL TECHNOLOGY COMPANY B.V. (NL) 1999-03-11 WO claimed
WO-2020249821-A1 NOVEL ARGINASE INHIBITORS RIJKSUNIVERSITEIT GRONINGEN (NL) 2020-12-17 WO disclosed
US-20130211079-A1 SUBSTITUTED HETEROCYCLES AS THERAPEUTIC AGENTS FOR TREATING CANCER DOEMLING ALEXANDER (US) 2013-08-15 US disclosed
US-20130211079-A1 SUBSTITUTED HETEROCYCLES AS THERAPEUTIC AGENTS FOR TREATING CANCER DOEMLING ALEXANDER (US) 2013-08-15 US disclosed
US-20110313167-A1 Substituted Heterocycles as Therapeutic agents for treating cancer UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2011-12-22 US disclosed
CN-101061116-A Sulfonamide compounds JANSSEN PHARMACEUTICA NV (BE) 2007-10-24 CN disclosed
EP-0938509-B1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE SPA (IT) 2002-11-20 EP disclosed
US-6239236-B1 COMPRISING TI, MG, HALOGEN AND AN ELECTRON DONOR COMPOUND SELECTED FROM CYANOESTERS MONTELL TECHNOLOGY COMPANY B.V. (NL) 2001-05-29 US disclosed
US-6143684-A FOR STEREOSPECIFIC POLYMERIZATION OF OLEFINS SUCH AS PROPYLENE MONTELL TECHNOLOGY COMPANY B.V. (NL) 2000-11-07 US 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-20110313167-A1 Substituted Heterocycles as Therapeutic agents for treating cancer TP53, MDM4, MDM2 ANPEP 3616/4885MME 2673/4885TAS1R3 4688/4885
US-20130211079-A1 SUBSTITUTED HETEROCYCLES AS THERAPEUTIC AGENTS FOR TREATING CANCER TP53, MDM4, MDM2 ANPEP 3616/4885MME 2673/4885TAS1R3 4688/4885

“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.