SCHEMBL9907220

SCHEMBL9907220

O=C([C@H](P)NP(=O)(c1ccccc1)c1ccccc1)N1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.50
HTT P42858 3/20 0.48
CYP2C9 P11712 1/20 0.43
DPP7 Q9UHL4 1/20 0.43
HPGD P15428 3/20 0.41
TSHR P16473 3/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
ALOX15 P16050 1/20 0.41
EPHX2 P34913 1/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 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
SCHEMBL9906181 0.82 DPP4 (0.49) GAAHTTCYP2C9DPP7USP2
SCHEMBL28985321 0.68 HTT (0.58) GAAHTTCYP2C9HPGDUSP2
SCHEMBL24858699 0.67 ALDH1A1 (0.43) HTTCYP2C9TSHRLMNAKMT2A
SCHEMBL1590241 0.66 TSHR (0.59) GAAHTTCYP2C9HPGDTSHR
SCHEMBL15617312 0.66 TSHR (0.59) GAAHTTCYP2C9HPGDTSHR
SCHEMBL6474890 0.65 GAA (0.96) GAAHTTCYP2C9HPGDUSP2
SCHEMBL26180022 0.65 HPGD (0.50) GAAHPGDTSHRLMNAEPHX2
SCHEMBL28731719 0.65 ALDH1A1 (0.47) GAAHTTCYP2C9HPGDTSHR
SCHEMBL28795080 0.65 NR1H2 (0.51) HTTDPP7HPGDTSHRLMNA
SCHEMBL15114732 0.65 NR1H2 (0.51) HTTDPP7HPGDTSHRLMNA

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 GAA 2907/4885HTT 4744/4885CYP2C9 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.