SCHEMBL17741990

SCHEMBL17741990

CCSc1cc(-n2ccc(C(F)(F)F)n2)ccc1C(C)=O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
NPSR1 Q6W5P4 3/20 0.45
NPC1 O15118 5/20 0.45
RAB9A P51151 4/20 0.43
POLB P06746 1/20 0.42
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
PAX8 Q06710 1/20 0.37
MMP12 P39900 1/20 0.36
IDH1 O75874 2/20 0.34
IDH2 P48735 1/20 0.34
SCN9A Q15858 1/20 0.33
F10 P00742 1/20 0.33
PTGS2 P35354 1/20 0.33
PRMT6 Q96LA8 1/20 0.33

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
SCHEMBL17732154 0.84 NPC1 (0.41) MAPTNPSR1NPC1RAB9APOLB
SCHEMBL17633957 0.80 MAPT (0.41) MAPTNPSR1NPC1RAB9APOLB
SCHEMBL17732144 0.79 NPC1 (0.45) MAPTNPSR1NPC1RAB9APOLB
SCHEMBL17802317 0.79 MAPT (0.41) MAPTNPSR1NPC1RAB9APOLB
SCHEMBL23280585 0.75 MAPT (0.35) MAPTNPSR1NPC1RAB9APOLB
SCHEMBL12824117 0.73 NPC1 (0.57) MAPTNPSR1NPC1RAB9APOLB
SCHEMBL3480930 0.72 NPC1 (0.42) MAPTNPSR1NPC1RAB9APOLB
SCHEMBL17741991 0.72 NPC1 (0.38) MAPTNPSR1NPC1RAB9APOLB
SCHEMBL17962645 0.72 NPC1 (0.46) MAPTNPSR1NPC1RAB9APOLB
SCHEMBL28683710 0.72 MAPT (0.34) MAPTNPSR1NPC1RAB9APOLB

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-10645928-B2 Pesticidally active polycyclic derivatives with sulfur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2020-05-12 US disclosed
EP-3214939-B1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2020-02-19 EP disclosed
US-20170318809-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2017-11-09 US disclosed
US-20170318809-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2017-11-09 US disclosed
WO-2016071214-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2016-05-12 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 (2 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-10645928-B2 Pesticidally active polycyclic derivatives with sulfur containing substituents DDT, SQOR, ACHE MAPT 428/4885NPSR1 387/4885NPC1 3044/4885
US-20170318809-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS DDT, SQOR, ACHE MAPT 428/4885NPSR1 387/4885NPC1 3044/4885

“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.