SCHEMBL17142192

SCHEMBL17142192

CC1(C)OB(c2csc(Cl)n2)OC1(C)C

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LPL P06858 6/20 0.34
LIPG Q9Y5X9 6/20 0.34
P2RX7 Q99572 1/20 0.32
SNCA P37840 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
MAPK1 P28482 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
SCHEMBL9941920 0.81 LPL (0.34) LPLLIPGP2RX7SNCACA1
SCHEMBL12731664 0.77 FFAR1 (0.32) LPLLIPG
SCHEMBL6900233 0.77 MAPT (0.35) LPLLIPG
SCHEMBL14480787 0.77 LPL (0.34) LPLLIPGP2RX7MAPK1
SCHEMBL23163229 0.75 IDH1 (0.31) LPLLIPG
SCHEMBL31227626 0.75 LPL (0.33) LPLLIPG
SCHEMBL22815582 0.74 KDM4E (0.40)
SCHEMBL17501193 0.74 CA1 (0.36) LPLLIPGCA1CA2CA9
SCHEMBL12731418 0.74 SLC6A3 (0.33) LPLLIPGP2RX7
SCHEMBL18900805 0.73 TYR (0.38) P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170137413-A1 NOVEL HALOGEN-SUBSTITUTED COMPOUNDS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-05-18 US disclosed
US-20170137413-A1 NOVEL HALOGEN-SUBSTITUTED COMPOUNDS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-05-18 US disclosed
US-20170137413-A1 NOVEL HALOGEN-SUBSTITUTED COMPOUNDS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-05-18 US disclosed
EP-3126353-A1 NOVEL 3-[(PYRAZOL-5-YL)-HETEROARYL]-BENZAMIDE DERIVATIVES AND USE THEREOF AS PEST CONTROL AGENTS Bayer CropScience Aktiengesellschaft (DE) 2017-02-08 EP disclosed
WO-2015150442-A1 NOVEL 3-[(PYRAZOL-5-YL)-HETEROARYL]-BENZAMIDE DERIVATIVES AND USE THEREOF AS PEST CONTROL AGENTS BAYER CROPSCIENCE AG (DE) 2015-10-08 WO 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-20170137413-A1 NOVEL HALOGEN-SUBSTITUTED COMPOUNDS CYP4F3, PYM1, PRDX4 LPL 3410/4885LIPG 4149/4885P2RX7 2906/4885

“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.