SCHEMBL5198486

SCHEMBL5198486

CCOC(=O)Cn1nc(C(=O)OCC)cc1O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.45
CYP2C19 P33261 2/20 0.45
TSHR P16473 3/20 0.44
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
POLB P06746 2/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP1A2 P05177 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
GAA P10253 3/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 2/20 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
SCHEMBL5560879 0.86 CYP1A2 (0.46) KDM4EPOLBSMN1; SMN2CYP1A2KMT2A
SCHEMBL26926832 0.83 MAPK1 (0.49) MAPK1CYP2C19TSHRNPC1ALDH1A1
SCHEMBL26927066 0.81 MAPK1 (0.51) MAPK1CYP2C19TSHRNPC1ALDH1A1
SCHEMBL5556813 0.79 KMT2A (0.44) CYP2C19ALDH1A1KDM4EPOLBCYP1A2
SCHEMBL360689 0.78 NR1H2 (0.43) KDM4EPOLBCYP1A2KMT2AGAA
SCHEMBL20388555 0.78 CYP1A2 (0.40) ALDH1A1KDM4EPOLBCYP1A2KMT2A
SCHEMBL537688 0.78 CYP1A2 (0.47) CYP2C19NPC1KDM4EPOLBSMN1; SMN2
SCHEMBL13373558 0.77 SMN1; SMN2 (0.58) MAPK1TSHRALDH1A1POLBSMN1; SMN2
SCHEMBL16796412 0.77 KMT2A (0.42) ALDH1A1KDM4EPOLBHSD17B10CYP1A2
SCHEMBL5196927 0.77 CYP2C19 (0.41) MAPK1CYP2C19TSHRNPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1814861-A1 SUBSTITUTED 5-OXO PYRAZOLES AND [1,2,4]TRIAZOLES AS ANTIVIRAL AGENTS SCHERING CORPORATION (US) 2007-08-08 EP disclosed
US-7115749-B2 Substituted 5-oxo pyrazoles and [1,2,4]triazoles as antiviral agents SCHERING CORPORATION (US) 2006-10-03 US disclosed
US-20060111412-A1 For inhibiting hepatitis c virus RNA-dependent polymerase SCHERING CORPORATION 2006-05-25 US disclosed
WO-2006050035-A1 SUBSTITUTED 5-OXO PYRAZOLES AND [1,2,4]TRIAZOLES AS ANTIVIRAL AGENTS SCHERING CORPORATION (US) 2006-05-11 WO 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-20060111412-A1 For inhibiting hepatitis c virus RNA-dependent polymerase RNASE1, POLRMT, POLR2E MAPK1 2071/4885CYP2C19 2077/4885TSHR 3149/4885

“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.