SCHEMBL461272

SCHEMBL461272

C=CCOC(=O)Cc1c(C)n(Cc2ccccc2)c2sccc12

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 7/20 0.53
ERCC1 P07992 1/20 0.43
ERCC5 P28715 1/20 0.43
FEN1 P39748 1/20 0.43
ERCC4 Q92889 1/20 0.43
PLA2G2A P14555 9/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PLA2G1B P04054 1/20 0.41
MAPK1 P28482 1/20 0.39

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
SCHEMBL463206 0.82 PTGDR2 (0.74) PTGDR2ERCC1ERCC5FEN1ERCC4
SCHEMBL400776 0.72 PTGDR2 (0.78) PTGDR2
SCHEMBL10074104 0.70 PTGDR2 (1.00) PTGDR2
SCHEMBL203679 0.69 ALDH1A1 (0.61) ALDH1A1TSHRMAPK1
SCHEMBL8300494 0.69 PLA2G2A (0.66) PTGDR2PLA2G2AALDH1A1POLBMAPT
Hydrochloric Acid SCHEMBL25259767 0.68 ALDH1A1 (0.59) ALDH1A1TSHRMAPK1
SCHEMBL6627880 0.68 ALDH1A1 (0.43) ALDH1A1MAPTTSHRTDP1MAPK1
SCHEMBL8292611 0.66 PLA2G2A (0.60) PLA2G2AMAPTPLA2G1B
Phenylacetic Acid SCHEMBL11667819 0.66 PAM (0.59) ALDH1A1TSHRMAPK1
SCHEMBL8301038 0.66 PLA2G2A (0.71) PTGDR2PLA2G2AALDH1A1MAPTTDP1

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 13/4885ERCC1 4244/4885ERCC5 3848/4885

“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.