SCHEMBL13802433

SCHEMBL13802433

Cc1c(CC(=O)O)c2ccccc2n1C(=O)C(C)C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 3/20 0.61
PTGS1 P23219 2/20 0.61
PTGS2 P35354 2/20 0.61
PTGDR2 Q9Y5Y4 3/20 0.52
THRA P10827 1/20 0.50
THRB P10828 1/20 0.50
EGFR P00533 1/20 0.49
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
TSHR P16473 1/20 0.48
NFKB1 P19838 1/20 0.48
HIF1A Q16665 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
PLA2G2A P14555 2/20 0.47
PTGIR P43119 2/20 0.46
LCK P06239 1/20 0.44
PRKACA P17612 1/20 0.44
CSNK2A2 P19784 1/20 0.44

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
SCHEMBL2982593 0.82 ABCB1 (0.55) ABCB1PTGS1PTGS2PTGDR2THRA
SCHEMBL12480026 0.82 ABCB1 (0.64) ABCB1PTGS1PTGS2PTGDR2THRA
SCHEMBL13802417 0.81 ABCB1 (0.62) ABCB1PTGS1PTGS2PTGDR2THRA
Delmetacin SCHEMBL286727 0.81 ABCB1 (0.82) ABCB1PTGS1PTGS2PTGDR2LMNA
SCHEMBL17102845 0.80 ABCB1 (0.61) ABCB1PTGS1PTGS2PTGDR2EGFR
SCHEMBL13802412 0.78 ABCB1 (0.65) ABCB1PTGS1PTGS2PTGDR2LMNA
SCHEMBL13802413 0.78 ABCB1 (0.58) ABCB1PTGS1PTGS2PTGDR2EGFR
SCHEMBL13802409 0.78 ABCB1 (0.81) ABCB1PTGS1PTGS2PTGDR2LMNA
SCHEMBL4543966 0.77 ABCB1 (0.57) ABCB1PTGS1PTGS2PTGDR2THRA
SCHEMBL9204840 0.77 EGFR (0.68) ABCB1PTGS1PTGS2PTGDR2THRA

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-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD MYRIAD GENETICS, INCORPORATED (US) 2009-06-18 US disclosed
US-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD MYRIAD GENETICS, INCORPORATED (US) 2009-06-18 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-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD APP, PSEN2, PSEN1 ABCB1 139/4885PTGS1 2198/4885PTGS2 2066/4885

“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.