SCHEMBL1994265

SCHEMBL1994265

NC(=O)Cc1cn(C(=O)O)c2sccc12

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.42
FABP4 P15090 1/20 0.42
PLA2G2A P14555 3/20 0.39
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
ICMT O60725 13/20 0.35

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
SCHEMBL1990987 0.80 L3MBTL1 (0.45) PTGDR2FABP4PLA2G2AICMT
SCHEMBL1993789 0.79 L3MBTL1 (0.46) PTGDR2AKR1C3AKR1C2
SCHEMBL28935816 0.77 PTGDR2 (0.40) PTGDR2AKR1C3AKR1C2
SCHEMBL12631148 0.70 PTGDR2 (0.48) PTGDR2AKR1C3AKR1C2
SCHEMBL1993887 0.68 ICMT (0.49) PTGDR2FABP4ICMT
SCHEMBL28935680 0.67 L3MBTL1 (0.46) PTGDR2AKR1C3AKR1C2
SCHEMBL10964741 0.65 FABP4 (0.48) FABP4
SCHEMBL1282624 0.65 OPRM1 (0.50)
SCHEMBL11086694 0.64 CA2 (0.42) FABP4
SCHEMBL11079970 0.64 KMT2A (0.50) FABP4

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
WO-2011079105-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 WO disclosed
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 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-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS TPMT, TSLP, THPO PTGDR2 61/4885FABP4 4529/4885PLA2G2A 3526/4885

“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.