SCHEMBL9906190

SCHEMBL9906190

COC(=O)[C@@H](NP(=O)(c1ccccc1)c1ccccc1)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.47
CYP2C9 P11712 6/20 0.47
CYP3A4 P08684 5/20 0.47
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
CYP2D6 P10635 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 1/20 0.47
TACR3 P29371 1/20 0.46
TDP1 Q9NUW8 2/20 0.45
POLB P06746 2/20 0.45
MAPT P10636 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CYP2C19 P33261 3/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
CYP1A2 P05177 2/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.43

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
SCHEMBL9906188 0.84 SMN1; SMN2 (0.46) TSHRCYP2C9CYP3A4KMT2AMEN1
SCHEMBL9906189 0.83 ELANE (0.51) ALDH1A1
SCHEMBL9906186 0.79 TSHR (0.52) TSHRCYP2C9CYP3A4KMT2AMEN1
SCHEMBL13921730 0.78 LMNA (0.44) KMT2AMEN1LMNATACR3NPSR1
SCHEMBL9906184 0.78 ALDH1A1 (0.53) KMT2AMEN1SMN1; SMN2LMNAPOLB
SCHEMBL12247777 0.77 BTN3A1 (0.43) KMT2AMEN1SMN1; SMN2TACR3NPSR1
SCHEMBL13410396 0.77 BTN3A1 (0.43) KMT2AMEN1SMN1; SMN2TACR3NPSR1
SCHEMBL13912403 0.77 BTN3A1 (0.43) KMT2AMEN1SMN1; SMN2TACR3NPSR1
SCHEMBL31086833 0.76 ELANE (0.42) CYP2C9KMT2AMEN1SMN1; SMN2CYP2C19
SCHEMBL9906187 0.75 ATM (0.55) CYP2C9CYP3A4CYP2D6LMNATACR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20100113786-A1 PHOSPHORAMIDE COMPOUND, METHOD FOR PRODUCING THE SAME, LIGAND, COMPLEX, CATALYST AND METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL ADH1C, ADH1A, DERA TSHR 2806/4885CYP2C9 1929/4885CYP3A4 1529/4885

“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.