SCHEMBL644062

SCHEMBL644062

COc1ccc(OP(=O)(Cl)OC(=O)[C@H](C)NOCc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ELANE P08246 3/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
ACHE P22303 1/20 0.43
PLAU P00749 2/20 0.42
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
ATM Q13315 1/20 0.41
PRTN3 P24158 2/20 0.41
ALDH1A1 P00352 3/20 0.41
CNR2 P34972 1/20 0.40
MMP2 P08253 1/20 0.40
CA9 Q16790 1/20 0.40
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL10004061 1.00 NPC1 (0.51) NPC1RAB9AMEN1KMT2AELANE
SCHEMBL857081 0.94 ELANE (0.48) NPC1RAB9AMEN1KMT2AELANE
SCHEMBL4273425 0.92 CA1 (0.50) NPC1RAB9AMEN1KMT2AELANE
SCHEMBL4277332 0.92 MEN1 (0.43) NPC1RAB9AMEN1KMT2AELANE
SCHEMBL1808359 0.92 CA1 (0.50) NPC1RAB9AMEN1KMT2AELANE
SCHEMBL1807712 0.91 ELANE (0.42) NPC1RAB9AMEN1KMT2AELANE
SCHEMBL10004179 0.89 NPC1 (0.49) NPC1RAB9AELANECA1CA2
SCHEMBL1809484 0.88 NPC1 (0.50) NPC1RAB9AMEN1KMT2AELANE
SCHEMBL4634185 0.88 NPC1 (0.44) NPC1RAB9AMEN1KMT2AELANE
SCHEMBL4273322 0.87 PPARG (0.45) NPC1RAB9AMEN1KMT2AELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928475-B1 ANTIVIRAL PHOSPHORAMIDATES OF 4'-C-AZIDO-SUBSTITUTED PRONUCLEOTIDES RIBOSCIENCE LLC (US) 2018-05-23 EP disclosed
WO-2012103990-A1 PHOSPHORAMIDATES OF MONOSACCHARIDES BIOIBERICA, S.A. (ES) 2012-08-09 WO disclosed
EP-2471802-A1 Phosphoramidates of monosaccharides Bioiberica, S.A. (ES) 2012-07-04 EP disclosed
US-8119779-B2 Phosphoramidate derivatives UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED 2012-02-21 US disclosed
US-7608599-B2 Antiviral phosphoramidates ROCHE PALO ALTO LLC (US) 2009-10-27 US disclosed
US-20070275910-A1 Phosphoramidate Derivatives UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2007-11-29 US disclosed
US-20070042988-A1 Antiviral phosphoramidates ROCHE PALO ALTO LLC 2007-02-22 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 (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-20070042988-A1 Antiviral phosphoramidates RPP30, RNASE1, ADORA2B NPC1 1467/4885RAB9A 165/4885MEN1 3374/4885
US-20070275910-A1 Phosphoramidate Derivatives HRH4, HRH3, NR1H4 NPC1 3445/4885RAB9A 4185/4885MEN1 1689/4885

“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.