SCHEMBL9906186

SCHEMBL9906186

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 10/20 0.52
CYP3A4 P08684 10/20 0.52
CYP2C9 P11712 7/20 0.52
KMT2A Q03164 5/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
MEN1 O00255 4/20 0.52
CYP2D6 P10635 4/20 0.52
MAPT P10636 4/20 0.52
CYP2C19 P33261 4/20 0.52
CYP1A2 P05177 3/20 0.52
MAPK1 P28482 3/20 0.52
LMNA P02545 2/20 0.52
TP53 P04637 2/20 0.52
TDP1 Q9NUW8 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
POLB P06746 1/20 0.50
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 2/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL9906190 0.79 TSHR (0.47) TSHRCYP3A4CYP2C9KMT2ASMN1; SMN2
SCHEMBL31679010 0.75 KMT2A (0.62) TSHRCYP3A4CYP2C9KMT2AMEN1
SCHEMBL13181743 0.75 KMT2A (0.62) TSHRCYP3A4CYP2C9KMT2ASMN1; SMN2
SCHEMBL12682597 0.75 KMT2A (0.62) TSHRCYP3A4CYP2C9KMT2ASMN1; SMN2
SCHEMBL1712333 0.75 KMT2A (0.62) TSHRCYP3A4CYP2C9KMT2AMEN1
SCHEMBL5225218 0.75 KMT2A (0.62) TSHRCYP3A4CYP2C9KMT2AMEN1
SCHEMBL8273800 0.75 KMT2A (0.62) TSHRCYP3A4CYP2C9KMT2AMEN1
SCHEMBL14639330 0.75 KMT2A (0.56) TSHRCYP3A4CYP2C9KMT2AMEN1
SCHEMBL23593786 0.74 KMT2A (0.60) TSHRCYP3A4CYP2C9KMT2AMEN1
SCHEMBL4574038 0.74 KMT2A (0.60) TSHRCYP3A4CYP2C9KMT2ASMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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 2806/4885CYP3A4 1529/4885CYP2C9 1929/4885
US-20120214988-A1 PHOSPHORAMIDE COMPOUND, METHOD FOR PRODUCING THE SAME, LIGAND, COMPLEX, CATALYST AND METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL ADH1C, ADH1A, DERA TSHR 2806/4885CYP3A4 1529/4885CYP2C9 1929/4885

“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.