SCHEMBL1593778

SCHEMBL1593778

Cn1nc(-c2ccc(S(N)(=O)=O)s2)cc1C(F)(F)F

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 1/20 0.67
GAA P10253 2/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
NPC1 O15118 1/20 0.63
RAB9A P51151 1/20 0.63
ALDH1A1 P00352 1/20 0.55
POLB P06746 1/20 0.53
CA1 P00915 13/20 0.47
CA2 P00918 13/20 0.47
CA12 O43570 11/20 0.47
CA9 Q16790 11/20 0.47
CA4 P22748 2/20 0.43
CA7 P43166 2/20 0.43

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
SCHEMBL3010846 0.86 GAA (0.64) PTGES2GAAL3MBTL1NPC1RAB9A
SCHEMBL2633819 0.86 GAA (0.67) PTGES2GAAL3MBTL1NPC1RAB9A
SCHEMBL1594800 0.84 GAA (0.61) PTGES2GAAL3MBTL1NPC1RAB9A
SCHEMBL13011943 0.81 PTGES2 (1.00) PTGES2GAAL3MBTL1NPC1RAB9A
SCHEMBL1594279 0.80 GAA (0.65) PTGES2GAAL3MBTL1NPC1RAB9A
SCHEMBL3473539 0.79 PTGES2 (0.65) PTGES2GAAL3MBTL1NPC1RAB9A
SCHEMBL16502999 0.78 PTGES2 (0.64) PTGES2GAAL3MBTL1NPC1RAB9A
SCHEMBL3472654 0.78 PTGES2 (0.64) PTGES2GAAL3MBTL1NPC1RAB9A
SCHEMBL3472410 0.78 PTGES2 (0.64) PTGES2GAAL3MBTL1NPC1RAB9A
SCHEMBL13471700 0.78 ALDH1A1 (0.60) PTGES2GAAL3MBTL1NPC1RAB9A

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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1028125-B1 Dipeptide compounds having fungicidal activity and their agronomic use ISAGRO RICERCA SRL (IT) 2004-01-28 EP claimed
EP-0305442-B1 FUNGICIDE COMPOSITIONS CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) 1992-09-09 EP claimed
EP-0209234-A2 Synergistic fungicidal composition UNIROYAL LIMITED (GB) 1987-01-21 EP claimed
US-20210352892-A1 MACROMOLECULAR AND NONPARTICULATE AGROCHEMICALS TO REDUCE VAPOR DRIFT UNIVERSITY OF UTAH RESEARCH FOUNDATION 2021-11-18 US disclosed
WO-2020210750-A1 MACROMOLECULAR AND NONPARTICULATE AGROCHEMICALS TO REDUCE VAPOR DRIFT UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2020-10-15 WO disclosed
EP-2465850-B1 THERAPEUTIC COMPOUNDS DART NEUROSCIENCE CAYMAN LTD (KY) 2016-11-23 EP disclosed
US-8791137-B2 Therapeutic compounds DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2014-07-29 US disclosed
US-8791137-B2 Therapeutic compounds DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2014-07-29 US disclosed
US-8791137-B2 Therapeutic compounds DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2014-07-29 US disclosed
EP-1989185-B1 THERAPEUTIC COMPOUNDS HELICON THERAPEUTICS INC (US) 2013-05-22 EP disclosed
US-8399487-B2 Pyrazole compounds and uses thereof DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2013-03-19 US disclosed
EP-0509346-A1 Biocide activator KAO CORPORATION (JP) 1992-10-21 EP disclosed
US-4897407-A PROTECTING PLANTS FROM FUNGAL DISEASES UNIROYAL CHEMICAL LIMITED (GB) 1990-01-30 US disclosed
US-4897407-A PROTECTING PLANTS FROM FUNGAL DISEASES UNIROYAL CHEMICAL LIMITED (GB) 1990-01-30 US disclosed
US-4886549-A Vat dye and sulfur dye compositions CIBA-GEIEGY CORPORATION (US) 1989-12-12 US disclosed
US-4767774-A Synergistic fungicidal composition employing substituted carboxamidothiazoles and imidazoles UNIROYAL CHEMICAL LIMITED (GB) 1988-08-30 US disclosed
US-4767774-A Synergistic fungicidal composition employing substituted carboxamidothiazoles and imidazoles UNIROYAL CHEMICAL LIMITED (GB) 1988-08-30 US disclosed
EP-0209234-A2 Synergistic fungicidal composition UNIROYAL LIMITED (GB) 1987-01-21 EP disclosed
US-4519805-A Vat dye and sulfur dye compositions CIBA GEIGY CORPORATION (US) 1985-05-28 US disclosed
EP-0008533-A1 Preparation of stabilized manganese(II) ethylene-bis(dithiocarbamate) and fungicidal compositions containing it E.I. DU PONT DE NEMOURS AND COMPANY (US) 1980-03-05 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 (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-20210352892-A1 MACROMOLECULAR AND NONPARTICULATE AGROCHEMICALS TO REDUCE VAPOR DRIFT ACP1, PTMS, VDAC1 PTGES2 4621/4885GAA 1267/4885L3MBTL1 1730/4885

“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.