SCHEMBL2177334

SCHEMBL2177334

CC(C)NP(=O)(O)c1ccccc1-c1ccccc1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 3/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 1/20 0.37
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 3/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
BCL2L1 Q07817 1/20 0.34
PTPN1 P18031 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
ADAMTS4 O75173 1/20 0.33
MAPT P10636 2/20 0.33

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
SCHEMBL7263443 0.76 ALDH1A1 (0.43) PTPN5CYP1A2CYP3A4CYP2C9CYP2C19
Phosphoric Acid SCHEMBL31187365 0.73 ALDH1A1 (0.52) PTPN5CYP3A4RAB9AALDH1A1HPGD
SCHEMBL811782 0.73 CYP3A4 (0.43) PTPN5CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6013469 0.72 ALDH1A1 (0.39) PTPN5CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6013454 0.72 ALDH1A1 (0.39) PTPN5CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6013441 0.72 HPGD (0.39) PTPN5CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1083127 0.72 ALDH1A1 (0.39) PTPN5CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6013450 0.72 HPGD (0.39) PTPN5CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL18516919 0.70 CYP1A2 (0.35) PTPN5CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2187517 0.70 HPGD (0.44) PTPN5CYP1A2CYP3A4CYP2C9CYP2C19

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-7973191-B2 Method for the production of dibenz[c,e] [1,2]-oxaphosphorin derivatives, amino-dibenz[c,e] [1,2]-oxaphosphorin and also use thereof EMS-PATENT AG (CH) 2011-07-05 US disclosed
US-20100069657-A1 METHOD FOR THE PRODUCTION OF DIBENZ[C,E] [1,2]-OXAPHOSPHORIN DERIVATIVES, AMINO-DIBENZ[C,E] [1,2]-OXAPHOSPHORIN AND ALSO USE THEREOF EMS-PATENT AG (CH) 2010-03-18 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-20100069657-A1 METHOD FOR THE PRODUCTION OF DIBENZ[C,E] [1,2]-OXAPHOSPHORIN DERIVATIVES, AMINO-DIBENZ[C,E] [1,2]-OXAPHOSPHORIN AND ALSO USE THEREOF PFAS, PNP, PNPO PTPN5 4196/4885TAS1R3 4844/4885TAS1R1 4764/4885

“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.