SCHEMBL425802

SCHEMBL425802

Cn1c(-c2ccccc2OCc2ccccc2)c(-c2ccccc2)c2sc(C(=O)O)cc21

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 16/20 0.47
MCL1 Q07820 1/20 0.47
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
RXRG P48443 1/20 0.46
PTGER4 P35408 8/20 0.43
PTGER3 P43115 8/20 0.43
PTGER2 P43116 8/20 0.43
DHODH Q02127 1/20 0.42
SRD5A1 P18405 1/20 0.41
SRD5A2 P31213 1/20 0.41
CYP2C9 P11712 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
SCHEMBL425969 0.84 NR4A2 (0.52) MCL1PTGER4DHODHSRD5A2
SCHEMBL428409 0.84 PTGER1 (0.41) PTGER1MCL1RXRARXRBRXRG
SCHEMBL425801 0.82 MCL1 (0.41) PTGER1MCL1RXRARXRBRXRG
SCHEMBL2997472 0.79 ALDH1A1 (0.44) PTGER1MCL1
SCHEMBL422522 0.74 LMNA (0.48) PTGER4SRD5A2
SCHEMBL424110 0.73 NR4A2 (0.47) MCL1PTGER4DHODHSRD5A2
SCHEMBL2992098 0.73 ALAD (0.40)
SCHEMBL424138 0.73 NR4A2 (0.51) MCL1PTGER4SRD5A2
SCHEMBL428663 0.73 NR4A2 (0.51) MCL1PTGER4SRD5A2
SCHEMBL426003 0.73 EGFR (0.46) MCL1SRD5A2

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-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-01-26 US claimed
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2009-02-05 US claimed
EP-1688420-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2006-08-09 EP claimed
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-01-26 US disclosed
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2009-02-05 US disclosed
EP-1688420-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2006-08-09 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-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor GTF3C5, ZC3HAV1, POLI PTGER1 4418/4885MCL1 2560/4885RXRA 4275/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI PTGER1 4418/4885MCL1 2560/4885RXRA 4275/4885

“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.