SCHEMBL1300329

SCHEMBL1300329

COC1CCC(C(=O)OCc2ccccc2)N1C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 5/20 0.47
KLK7 P49862 1/20 0.45
CTSL P07711 1/20 0.45
HTT P42858 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTR2C P28335 1/20 0.43
YAP1 P46937 1/20 0.42
ABCB1 P08183 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
TSHR P16473 1/20 0.40
STS P08842 1/20 0.40
AGTR2 P50052 1/20 0.40

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
SCHEMBL1300327 1.00 FKBP1A (0.47) FKBP1AKLK7CTSLHTTNPC1
SCHEMBL19839017 0.92 FKBP1A (0.50) FKBP1AKLK7CTSLHTTNPC1
SCHEMBL13567885 0.91 HTR2C (0.48) FKBP1AKLK7CTSLHTTNPC1
SCHEMBL13567861 0.91 HTR2C (0.48) FKBP1AKLK7CTSLHTTNPC1
SCHEMBL1300929 0.87 CTSL (0.48) FKBP1AKLK7CTSLHTTNPC1
SCHEMBL22221127 0.87 HTR2C (0.49) FKBP1AKLK7CTSLHTTNPC1
SCHEMBL1300932 0.87 CTSL (0.48) FKBP1AKLK7CTSLHTTNPC1
SCHEMBL22221294 0.85 FKBP1A (0.45) FKBP1AKLK7CTSLHTTNPC1
SCHEMBL9608981 0.84 FKBP1A (0.44) FKBP1AKLK7CTSLHTTSMN1; SMN2
SCHEMBL3727727 0.84 FKBP1A (0.44) FKBP1AKLK7CTSLHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11542492-B2 Ligand-directed covalent modification of protein CELGENE CAR LLC (BM) 2023-01-03 US disclosed
US-20170218353-A1 Ligand-Directed Covalent Modification of Protein CELGENE CAR LLC (BM) 2017-08-03 US disclosed
EP-2519664-A1 LIGAND-DIRECTED COVALENT MODIFICATION OF PROTEIN Avila Therapeutics, Inc. (US) 2012-11-07 EP disclosed
US-20110269244-A1 LIGAND-DIRECTED COVALENT MODIFICATION OF PROTEIN CELGENE CAR LLC (BM) 2011-11-03 US disclosed
WO-2011082285-A1 LIGAND-DIRECTED COVALENT MODIFICATION OF PROTEIN AVILA THERAPEUTICS, INC. (US) 2011-07-07 WO disclosed
US-20090131668-A1 4-oxo-4,6,7,8-Tetrahydro-pyrrolo[1,2-a]pyrazine-6-carboxamide compounds LES LABORATOIRES SERVIER (FR) 2009-05-21 US disclosed
US-7498330-B2 4-oxo-4,6,7,8-tetrahydro-pyrrolo[1,2-a]pyrazine-6-carboxamide compounds LES LABORATORIES SERVIER (FR) 2009-03-03 US disclosed
US-20050209234-A1 4-Oxo-4,6,7,8-tetrahydro-pyrrolo[1,2-a]pyrazine-6-carboxamide compounds LES LABORATOIRES SERVIER (FR) 2005-09-22 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 (5 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-11542492-B2 Ligand-directed covalent modification of protein PTMS, SPR, DNPEP FKBP1A 617/4885KLK7 1646/4885CTSL 352/4885
US-20090131668-A1 4-oxo-4,6,7,8-Tetrahydro-pyrrolo[1,2-a]pyrazine-6-carboxamide compounds F2, TBXA2R, PDGFRA FKBP1A 1720/4885KLK7 3030/4885CTSL 1470/4885
US-20050209234-A1 4-Oxo-4,6,7,8-tetrahydro-pyrrolo[1,2-a]pyrazine-6-carboxamide compounds F2, TBXA2R, PDGFRA FKBP1A 1720/4885KLK7 3030/4885CTSL 1470/4885
US-20110269244-A1 LIGAND-DIRECTED COVALENT MODIFICATION OF PROTEIN PTMS, SPR, DNPEP FKBP1A 617/4885KLK7 1646/4885CTSL 352/4885
US-20170218353-A1 Ligand-Directed Covalent Modification of Protein PTMS, SPR, DNPEP FKBP1A 617/4885KLK7 1646/4885CTSL 352/4885

“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.