SCHEMBL7049436

SCHEMBL7049436

Cc1cccc([S+]([O-])C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.42
AR P10275 2/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
TSHR P16473 1/20 0.34
PDK2 Q15119 1/20 0.33
PTPN5 P54829 1/20 0.33
TP53 P04637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NPC1 O15118 1/20 0.31
CASP3 P42574 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31

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
SCHEMBL22926037 0.79 ALDH1A1 (0.32) ALDH1A1TSHR
SCHEMBL10145053 0.77 ACHE (0.42) ACHEALDH1A1MAPK1CYP3A4CYP2C9
SCHEMBL29468624 0.76 ACHE (0.52) ACHEALDH1A1MAPK1CYP1A2CYP3A4
SCHEMBL3143550 0.76 ACHE (0.52) ACHEALDH1A1MAPK1CYP1A2CYP3A4
SCHEMBL24758798 0.76 CA1 (0.37) ALDH1A1MAPK1CYP1A2NPC1PARP1
SCHEMBL17309716 0.76 CYP3A4 (0.42) ACHEARALDH1A1CYP1A2CYP3A4
SCHEMBL28526093 0.76 METAP2 (0.30)
SCHEMBL17288544 0.76
SCHEMBL4282024 0.76 TSHR (0.45) ALDH1A1MAPK1CYP3A4MAPTTSHR
SCHEMBL30032212 0.76 CA1 (0.37) ALDH1A1MAPK1CYP1A2NPC1PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022263548-A1 3-SUBSTITUTED 1H-PYRROLO[2,3-B]PYRIDINE AS GRK5 MODULATORS LEAD DISCOVERY CENTER GMBH (DE) 2022-12-22 WO disclosed
US-10544124-B2 Substituted 2-(het)arylimidazolylcarboxyamides as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-01-28 US disclosed
US-20190047982-A1 Substituted 2-(het)arylimidazolylcarboxyamides as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-02-14 US disclosed
EP-0882715-B1 NOVEL N-(UNSUBSTITUTED OR SUBSTITUTED)-4-SUBSTITUTED-6-(UNSUBSTITUTED OR SUBSTITUTED)PHENOXY-2-PYRIDINECARBOXAMIDES OR THIOCARBOXAMIDES, PROCESSES FOR PRODUCING THE SAME, AND HERBICIDES KUREHA CHEMICAL IND CO LTD (JP) 2003-04-23 EP disclosed
US-6339045-B1 CAN BE USED IN A SMALL AMOUNT, SHOWING A GOOD SELECTIVITY BETWEEN CROP AND WEED, AND CAUSING NO PHYTOTOXICITY KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2002-01-15 US disclosed
EP-0882715-A1 NOVEL N-(UNSUBSTITUTED OR SUBSTITUTED)-4-SUBSTITUTED-6-(UNSUBSTITUTED OR SUBSTITUTED)PHENOXY-2-PYRIDINECARBOXAMIDES OR THIOCARBOXAMIDES, PROCESSES FOR PRODUCING THE SAME, AND HERBICIDES KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1998-12-09 EP 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-20190047982-A1 Substituted 2-(het)arylimidazolylcarboxyamides as pesticides DDT, CYP4X1, CYP4Z1 ACHE 18/4885AR 3988/4885ALDH1A1 3432/4885
US-10544124-B2 Substituted 2-(het)arylimidazolylcarboxyamides as pesticides DDT, CYP4X1, CYP4Z1 ACHE 18/4885AR 3988/4885ALDH1A1 3432/4885

“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.