SCHEMBL398882

SCHEMBL398882

COC(=O)Cc1c(C)n(C(=O)O)c2sccc12

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 11/20 0.45
AKR1C3 P42330 4/20 0.44
AKR1C2 P52895 1/20 0.42
CNR2 P34972 3/20 0.41
PTGS2 P35354 1/20 0.41
CNR1 P21554 2/20 0.39
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
KMT2A Q03164 1/20 0.36
EGFR P00533 1/20 0.36

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
SCHEMBL10074105 0.84 AKR1C3 (0.40) PTGDR2AKR1C3AKR1C2CNR2PTGS2
SCHEMBL397819 0.73 PTGDR2 (0.78) PTGDR2
SCHEMBL2074087 0.71 AKR1C3 (0.76) PTGDR2AKR1C3AKR1C2CNR2PTGS2
SCHEMBL399816 0.69 EGFR (0.43) AKR1C2MEN1CYP1A2KMT2AEGFR
SCHEMBL17102822 0.67 EGFR (0.56) AKR1C3AKR1C2CNR2PTGS2CNR1
SCHEMBL1295475 0.66 ALOX5 (0.47) MEN1CYP1A2KMT2A
SCHEMBL10732151 0.66 EGFR (0.46) MEN1CYP1A2KMT2AEGFR
Hydrochloric Acid SCHEMBL27680687 0.65 ALOX5 (0.46) MEN1CYP1A2KMT2A
SCHEMBL463206 0.64 PTGDR2 (0.74) PTGDR2
SCHEMBL9430379 0.63 KMT2A (0.41) MEN1CYP1A2KMT2AEGFR

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
US-8101645-B2 Thienopyrroles and pyrrolothiazoles as new therapeutic agents ABBOTT LABORATORIES (US) 2012-01-24 US disclosed
US-20090209609-A1 Thienopyrroles and pyrrolothiazoles as new therapeutic agents ABBVIE INC. 2009-08-20 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-20090209609-A1 Thienopyrroles and pyrrolothiazoles as new therapeutic agents HRH2, HRH1, TSLP PTGDR2 13/4885AKR1C3 1424/4885AKR1C2 1635/4885

“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.