SCHEMBL12896165

SCHEMBL12896165

CC(C)c1sc2cc(CO)ccc2c1C(C)C

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.37
▸ APP P05067 2/20 0.34
▸ LIMK1 P53667 2/20 0.32
▸ CA2 P00918 1/20 0.32
▸ ILK Q13418 1/20 0.31
▸ MAOA P21397 1/20 0.30
▸ DYRK1A Q13627 1/20 0.30
▸ PARP1 P09874 1/20 0.30

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
SCHEMBL12896185 0.80 BCL2L1 (0.39) APP
SCHEMBL2431221 0.79 HSD17B10 (0.34) HSD17B10APP
SCHEMBL12896161 0.78 ESR1 (0.40) —
SCHEMBL12896176 0.75 BCKDK (0.38) —
SCHEMBL19155499 0.72 LIMK1 (0.42) HSD17B10APPLIMK1CA2ILK
SCHEMBL13520159 0.71 LIMK1 (0.44) HSD17B10APPLIMK1CA2ILK
SCHEMBL12732588 0.71 BCL2L1 (0.39) —
SCHEMBL12896179 0.70 GPR3 (0.46) —
SCHEMBL12896160 0.69 ALB (0.38) CA2
SCHEMBL17232354 0.68 UGT2B7 (0.35) HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110028507-A1 PYRIDINE DERIVATIVES AND METHODS OF USE THEREOF CRYSTALGENOMICS, INC. (KR) 2011-02-03 — — 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-20110028507-A1 PYRIDINE DERIVATIVES AND METHODS OF USE THEREOF EGLN3, EGLN2, HIF1A HSD17B10 659/4885APP 2852/4885LIMK1 4245/4885

“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.

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