SCHEMBL9906157

SCHEMBL9906157

CC[C@](C)(O)c1ccsc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 2/20 0.39
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
CHRM2 P08172 1/20 0.31
LCK P06239 1/20 0.30
FYN P06241 1/20 0.30
DAO P14920 1/20 0.30
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30

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
SCHEMBL27367521 1.00 CHRM3 (0.39) CHRM3NPC1RAB9ADRD2DRD3
SCHEMBL21843937 0.80 CHRM3 (0.35) CHRM3NPC1RAB9A
SCHEMBL5929549 0.79 CYP2C19 (0.44) CHRM3NPC1RAB9ACES2CES1
SCHEMBL23633387 0.78 ESR1 (0.34) CHRM3NPC1RAB9ADRD2DRD3
SCHEMBL19277014 0.78 CHRM3 (0.37) CHRM3NPC1RAB9ADRD2DRD3
SCHEMBL30295479 0.78 CHRM3 (0.34) CHRM3NPC1RAB9ADRD2DRD3
SCHEMBL2975836 0.78
SCHEMBL28706820 0.75 TAAR1 (0.33) CHRM3NPC1RAB9ADRD2DRD3
SCHEMBL7574539 0.74 ESR1 (0.44) NPC1RAB9AESR1ESR2
SCHEMBL20301645 0.74 CES2 (0.38) CHRM3NPC1RAB9ACES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140088303-A1 PHOSPHORAMIDE COMPOUND, METHOD FOR PRODUCING THE SAME, LIGAND, COMPLEX, CATALYST AND METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL SEKISUI MEDICAL CO., LTD. (JP) 2014-03-27 US disclosed
US-20140088303-A1 PHOSPHORAMIDE COMPOUND, METHOD FOR PRODUCING THE SAME, LIGAND, COMPLEX, CATALYST AND METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL SEKISUI MEDICAL CO., LTD. (JP) 2014-03-27 US disclosed
US-8624024-B2 Phosphoramide compound, method for producing the same, ligand, complex, catalyst and method for producing optically active alcohol NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-01-07 US disclosed
US-8624024-B2 Phosphoramide compound, method for producing the same, ligand, complex, catalyst and method for producing optically active alcohol NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-01-07 US disclosed
US-20120214988-A1 PHOSPHORAMIDE COMPOUND, METHOD FOR PRODUCING THE SAME, LIGAND, COMPLEX, CATALYST AND METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL SEKISUI MEDICAL CO., LTD. (JP) 2012-08-23 US disclosed
US-20120214988-A1 PHOSPHORAMIDE COMPOUND, METHOD FOR PRODUCING THE SAME, LIGAND, COMPLEX, CATALYST AND METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL SEKISUI MEDICAL CO., LTD. (JP) 2012-08-23 US disclosed
US-8198445-B2 Phosphoramide compound, method for producing the same, ligand, complex, catalyst and method for producing optically active alcohol NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2012-06-12 US disclosed
US-8198445-B2 Phosphoramide compound, method for producing the same, ligand, complex, catalyst and method for producing optically active alcohol NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2012-06-12 US disclosed
US-20100113786-A1 PHOSPHORAMIDE COMPOUND, METHOD FOR PRODUCING THE SAME, LIGAND, COMPLEX, CATALYST AND METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2010-05-06 US disclosed
US-20100113786-A1 PHOSPHORAMIDE COMPOUND, METHOD FOR PRODUCING THE SAME, LIGAND, COMPLEX, CATALYST AND METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2010-05-06 US disclosed
EP-2128167-A1 PHOSPHOROAMIDE COMPOUND, METHOD FOR PRODUCING THE SAME, LIGAND, COMPLEX, CATALYST, AND METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL National University Corporation Nagoya University (JP) 2009-12-02 EP 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-20100113786-A1 PHOSPHORAMIDE COMPOUND, METHOD FOR PRODUCING THE SAME, LIGAND, COMPLEX, CATALYST AND METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL ADH1C, ADH1A, DERA CHRM3 2768/4885NPC1 3742/4885RAB9A 1774/4885
US-20120214988-A1 PHOSPHORAMIDE COMPOUND, METHOD FOR PRODUCING THE SAME, LIGAND, COMPLEX, CATALYST AND METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL ADH1C, ADH1A, DERA CHRM3 2768/4885NPC1 3742/4885RAB9A 1774/4885
US-20140088303-A1 PHOSPHORAMIDE COMPOUND, METHOD FOR PRODUCING THE SAME, LIGAND, COMPLEX, CATALYST AND METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL ADH1C, ADH1A, DERA CHRM3 2768/4885NPC1 3742/4885RAB9A 1774/4885

“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.