SCHEMBL12015352

SCHEMBL12015352

CC(C)(C)C(=O)N1CCC1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 1/20 0.39
ITGA4 P13612 1/20 0.39
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
MITF O75030 1/20 0.37
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
RIPK1 Q13546 3/20 0.36
CYP2C9 P11712 3/20 0.35
MAPT P10636 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
NPC1 O15118 1/20 0.35
CYP3A4 P08684 1/20 0.35
RAB9A P51151 1/20 0.35
CYP2D6 P10635 2/20 0.34
POLB P06746 1/20 0.33
HDAC6 Q9UBN7 2/20 0.32
ALDH1A1 P00352 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL12015351 0.87 LMNA (0.53) LMNASMN1; SMN2MITFKMT2AMEN1
SCHEMBL17898504 0.85 TP53 (0.35) LMNASMN1; SMN2MITFKMT2AMEN1
SCHEMBL12015371 0.85 SMN1; SMN2 (0.51) LMNASMN1; SMN2MITFKMT2AMEN1
SCHEMBL12015370 0.84 SMN1; SMN2 (0.54) LMNASMN1; SMN2MITFKMT2AMEN1
SCHEMBL14748552 0.75 RIPK1 (0.36) LMNAKMT2ARIPK1CYP1A2THRB
SCHEMBL4728242 0.73
SCHEMBL20169529 0.72 RIPK1 (0.36) LMNAKMT2ARIPK1POLBBLM
SCHEMBL513188 0.72 USP2 (0.43) ITGB1ITGA4SMN1; SMN2MAPTKDM4E
SCHEMBL15233814 0.72 LMNA (0.44) ITGB1ITGA4LMNASMN1; SMN2MITF
SCHEMBL22425373 0.71 MEN1 (0.47) KMT2AMEN1RIPK1POLBHDAC6

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-20170218353-A1 Ligand-Directed Covalent Modification of Protein CELGENE CAR LLC (BM) 2017-08-03 US disclosed
US-20160326125-A1 SULFONE AMIDE LINKED BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL MYERS SQUIBB CO (US) 2016-11-10 US disclosed
US-9405191-B2 Resin, resist composition and method for producing resist pattern SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-08-02 US disclosed
US-20160077433-A1 RESIN, RESIST COMPOSITION AND METHOD FOR PRODUCING RESIST PATTERN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-03-17 US disclosed
US-8859182-B2 Resist composition and method for producing resist pattern SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-10-14 US disclosed
US-8563217-B2 Resist composition and method for producing resist pattern SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-10-22 US disclosed
US-20130022910-A1 RESIST COMPOSITION AND METHOD FOR PRODUCING RESIST PATTERN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-01-24 US disclosed
US-20120219907-A1 RESIST COMPOSITION AND METHOD FOR PRODUCING RESIST PATTERN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-30 US disclosed
US-20120219898-A1 RESIST COMPOSITION AND METHOD FOR PRODUCING RESIST PATTERN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-30 US disclosed
US-20110269244-A1 LIGAND-DIRECTED COVALENT MODIFICATION OF PROTEIN CELGENE CAR LLC (BM) 2011-11-03 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 (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-20110269244-A1 LIGAND-DIRECTED COVALENT MODIFICATION OF PROTEIN PTMS, SPR, DNPEP ITGB1 2060/4885ITGA4 2725/4885LMNA 4695/4885
US-20170218353-A1 Ligand-Directed Covalent Modification of Protein PTMS, SPR, DNPEP ITGB1 2060/4885ITGA4 2725/4885LMNA 4695/4885
US-20160326125-A1 SULFONE AMIDE LINKED BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE LIPG, LIPE, LPL ITGB1 4621/4885ITGA4 4567/4885LMNA 1952/4885

“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.