SCHEMBL17367477

SCHEMBL17367477

CC(=O)C1(c2ccc(-c3ccc(-c4sccc4C(N)=O)cc3C(=O)OC(C)(C)C)cc2)CC1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.32
APP P05067 3/20 0.31
LPAR1 Q92633 1/20 0.31
CYP2C9 P11712 2/20 0.30
CYP2C19 P33261 2/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
PTK2 Q05397 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
SCHEMBL17215450 0.88 OPRM1 (0.36)
SCHEMBL17367483 0.86 ACHE (0.31) LPAR1
SCHEMBL17367475 0.79 PTK2 (0.40) PTGS1APPCYP2C9CYP2C19CYP3A4
SCHEMBL17367468 0.79 SLC6A3 (0.35) APPLPAR1CYP2C9CYP2C19CYP3A4
SCHEMBL17367476 0.78 MAPT (0.35) PTGS1APPCYP2C9CYP2C19CYP3A4
SCHEMBL22271721 0.77 APP (0.44) APPCYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL17216091 0.75 OPRM1 (0.38)
SCHEMBL17371010 0.74 OPRM1 (0.40)
SCHEMBL17367472 0.73 AAK1 (0.37)
SCHEMBL17367478 0.73 ALDH1A1 (0.42) PTGS1APPCYP2C9CYP2C19CYP3A4

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-20150376160-A1 HALOGEN-SUBSTITUTED HETEROCYCLIC COMPOUND UBE INDUSTRIES, LTD. (JP) 2015-12-31 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-20150376160-A1 HALOGEN-SUBSTITUTED HETEROCYCLIC COMPOUND LPAR3, LPAR1, LPAR2 PTGS1 2492/4885APP 4316/4885LPAR1 2/4885

“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.