SCHEMBL6138885

SCHEMBL6138885

COC(=O)[C@H](C)N(C(C)=O)c1cccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.44
MEN1 O00255 1/20 0.44
PLA2G1B P04054 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
SIGMAR1 Q99720 5/20 0.44
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GAA P10253 2/20 0.40
NCEH1 Q6PIU2 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HPGD P15428 1/20 0.38
PTGS1 P23219 2/20 0.37
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
PGR P06401 1/20 0.37

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
SCHEMBL809169 0.84 KMT2A (0.41) NPSR1MEN1PLA2G1BHTTKMT2A
SCHEMBL6113113 0.84 SMPD2 (0.47) SIGMAR1GAA
SCHEMBL6113112 0.84 SMPD2 (0.47) SIGMAR1GAA
SCHEMBL6119288 0.84 SMPD2 (0.47) SIGMAR1GAA
SCHEMBL6139113 0.83 MEN1 (0.40) NPSR1MEN1PLA2G1BHTTKMT2A
SCHEMBL27597531 0.83 MEN1 (0.40) NPSR1MEN1PLA2G1BHTTKMT2A
SCHEMBL29643295 0.82 SIGMAR1 (0.50) NPSR1MEN1PLA2G1BHTTKMT2A
SCHEMBL7138305 0.81 CASP1 (0.41) NPSR1MEN1PLA2G1BHTTKMT2A
SCHEMBL11153728 0.80 MEN1 (0.50) NPSR1MEN1PLA2G1BHTTKMT2A
SCHEMBL19974868 0.79 PAX8 (0.45) NPSR1MEN1PLA2G1BHTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1330464-B1 PHOSPHINO-AMINOPHOSPHINES, CATALYST COMPLEXES AND ENANTIOSELECTIVE HYDROGENATION EASTMAN CHEM CO (US) 2005-11-16 EP disclosed
EP-1330464-A2 PHOSPHINO-AMINOPHOSPHINES, CATALYST COMPLEXES AND ENANTIOSELECTIVE HYDROGENATION EASTMAN CHEMICAL COMPANY (US) 2003-07-30 EP disclosed
US-6590115-B2 Useful as ligands for metal catalysts for asymmetric reactions, in particular as rhodium complexes for asymmetric hydrogenation of enamide, itaconate, and alpha-ketoester compounds EASTMAN CHEMICAL COMPANY 2003-07-08 US disclosed
US-20020065417-A1 Useful as ligands for metal catalysts for asymmetric reactions, in particular as rhodium complexes for asymmetric hydrogenation of enamide, itaconate, and alpha-ketoester compounds JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2002-05-30 US disclosed
WO-2002026750-A2 PHOSPHINO-AMINOPHOSPHINES, CATALYST COMPLEXES AND ENANTIOSELECTIVE HYDROGENATION EASTMAN CHEMICAL COMPANY (US) 2002-04-04 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 (1 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-20020065417-A1 Useful as ligands for metal catalysts for asymmetric reactions, in particular as rhodium complexes for asymmetric hydrogenation of enamide, itaconate, and alpha-ketoester compounds NOTUM, WEE1, WEE2 NPSR1 1660/4885MEN1 290/4885PLA2G1B 3010/4885

“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.