SCHEMBL2994263

SCHEMBL2994263

COCn1c(-c2ccc(Cl)cc2)c(-c2ccccc2)c2sc(C(=O)O)cc21

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.36
PTGS1 P23219 2/20 0.36
PTGS2 P35354 1/20 0.36
KDM4E B2RXH2 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
DRD2 P14416 1/20 0.36
TBXA2R P21731 1/20 0.36
MAPK8 P45983 1/20 0.35
MDM2 Q00987 2/20 0.35
MDM4 O15151 1/20 0.35
ALAD P13716 1/20 0.35
PTGES O14684 2/20 0.35
HSD17B10 Q99714 1/20 0.35
TP53 P04637 2/20 0.35
PTGES2 Q9H7Z7 2/20 0.35
MAPT P10636 1/20 0.35
AR P10275 1/20 0.34
PLA2G2A P14555 1/20 0.34
ABCB1 P08183 1/20 0.34

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
SCHEMBL2998225 0.94 DRD2 (0.39) KDM4ENPSR1DRD2TBXA2RMAPK8
SCHEMBL2992063 0.93 KDM4E (0.39) KDM4EMAPK8HSD17B10TP53MAPT
SCHEMBL2998829 0.86 KMT2A (0.40) KDM4ENPSR1MAPK8HSD17B10MAPT
SCHEMBL2987941 0.83 GRIN2B (0.38) MDM2MDM4
SCHEMBL2999727 0.83 KDM4E (0.42) ALOX5PTGS1PTGS2KDM4ENPSR1
SCHEMBL2992098 0.82 ALAD (0.40) ALOX5PTGS1PTGS2KDM4ENPSR1
SCHEMBL2994261 0.80 PTGDR2 (0.34) TP53MAPT
SCHEMBL2988628 0.79 KDM4E (0.38) KDM4ENPSR1DRD2TBXA2RMAPK8
SCHEMBL2998612 0.79 AR (0.42) KDM4EMAPK8MDM2MDM4PTGES
SCHEMBL2997044 0.77 EGFR (0.48) PTGS2MDM2HSD17B10TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7781431-B2 Thienopyrroles as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2010-08-24 US disclosed
US-20090036443-A1 Thienopyrroles as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI (IT) 2009-02-05 US disclosed
EP-1664059-B1 THIENOPYRROLES AS ANTIVIRAL AGENTS ANGELETTI P IST RICHERCHE BIO (IT) 2007-09-12 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 (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-20090036443-A1 Thienopyrroles as antiviral agents ZC3HAV1, XDH, TPMT ALOX5 2268/4885PTGS1 1574/4885PTGS2 2650/4885

“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.