SCHEMBL17367486

SCHEMBL17367486

CC(=O)C1(c2ccc(-c3ccc(-c4sc(Cl)cc4C(N)=O)cn3)cc2)CC1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 8/20 0.34
MAP4K4 O95819 2/20 0.34
HSD11B1 P28845 1/20 0.32
CDC7 O00311 1/20 0.31
P2RX7 Q99572 2/20 0.31
OPRD1 P41143 1/20 0.31
PARP1 P09874 1/20 0.31
CHEK1 O14757 1/20 0.31
HPGDS O60760 1/20 0.31
NNMT P40261 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
SCHEMBL17367480 0.87 PRKAB2 (0.32) MAP4K4HSD11B1CDC7OPRD1CHEK1
SCHEMBL15854085 0.86 OPRM1 (0.40) OPRD1
SCHEMBL17367492 0.81 PRKAB2 (0.39) MAP4K4
SCHEMBL19873563 0.79 CASP1 (0.39) CASP1MAP4K4CDC7P2RX7PARP1
SCHEMBL17367488 0.78 CHEK1 (0.35) CHEK1
SCHEMBL15854171 0.78 MAP4K4 (0.47) MAP4K4
SCHEMBL17367479 0.77 MAPT (0.36) MAP4K4HSD11B1
SCHEMBL17367483 0.77 ACHE (0.31)
SCHEMBL15854116 0.76 PRKAB2 (0.42) MAP4K4
SCHEMBL17367489 0.76 PRKAB2 (0.40) MAP4K4HSD11B1OPRD1

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 CASP1 3061/4885MAP4K4 2218/4885HSD11B1 722/4885

“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.