SCHEMBL515476

SCHEMBL515476

COc1cccc(SC(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
MTNR1A P48039 7/20 0.42
MTNR1B P49286 7/20 0.42
KCNK2 O95069 2/20 0.42
KCNK10 P57789 1/20 0.42
CETP P11597 1/20 0.41
TERT O14746 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
ENPP2 Q13822 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A1 P04798 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL13790860 0.82 ACHE (0.47) ACHECA1CA2CA7CA9
SCHEMBL515475 0.81 CETP (0.37) ALDH1A1CETPRXFP1LMNA
SCHEMBL12251503 0.80 TP53 (0.49) ALDH1A1CYP3A4CETPRXFP1CYP1A2
SCHEMBL5677853 0.78 ACHE (0.50) ACHECA1CA2CA7CA9
SCHEMBL4978773 0.78 LMNA (0.53) ACHEALDH1A1CYP3A4RXFP1LMNA
SCHEMBL19692939 0.77 TUBB4A (0.46) ALDH1A1MTNR1AMTNR1BTERTCES2
SCHEMBL1157811 0.77 ACHE (0.54) ACHECA1CA2CA7CA9
SCHEMBL3164341 0.77 ACHE (0.54) ACHECA1CA2CA7CA9
SCHEMBL31425668 0.77 ACHE (0.54) ACHECA1CA2CA7CA9
SCHEMBL514199 0.77 LMNA (0.35) ALDH1A1CETPTERTRXFP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023210623-A1 HALOALKYL SULFONE ANILIDE COMPOUND AND HERBICIDE CONTAINING SAME 株式会社エス・ディー・エス バイオテック 2023-11-02 WO disclosed
EP-3162799-B1 FLUOROALKYLATING AGENT KUMIAI CHEMICAL INDUSTRY CO (JP) 2021-03-10 EP disclosed
US-10696640-B2 Fluoroalkylating agent KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2020-06-30 US disclosed
US-20190233380-A1 FLUOROALKYLATING AGENT KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2019-08-01 US disclosed
US-10308613-B2 Fluoroalkylating agent KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2019-06-04 US disclosed
US-20170197920-A1 FLUOROALKYLATING AGENT IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2017-07-13 US disclosed
US-20170197920-A1 FLUOROALKYLATING AGENT IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2017-07-13 US disclosed
EP-3162799-A1 FLUOROALKYLATING AGENT Ihara Chemical Industry Co., Ltd. (JP) 2017-05-03 EP disclosed
EP-3162799-A1 FLUOROALKYLATING AGENT Ihara Chemical Industry Co., Ltd. (JP) 2017-05-03 EP disclosed
WO-2015199109-A1 FLUOROALKYLATING AGENT イハラケミカル工業株式会社 2015-12-30 WO disclosed
WO-2014184071-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
WO-2014184070-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
EP-2420493-A1 HALOALKYLSULFONANILIDE DERIVATIVE Nissan Chemical Industries, Ltd. (JP) 2012-02-22 EP disclosed
US-20120029187-A1 HALOALKYLSULFONANILIDE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-02-02 US disclosed
EP-2336104-A1 ORTHO-SUBSTITUTED HALOALKYLSULFONANILIDE DERIVATIVE AND HERBICIDE Nissan Chemical Industries, Ltd. (JP) 2011-06-22 EP disclosed
EP-0117780-B1 PROCESS FOR THE PREPARATION OF PERHALOGENOALKYLTHIO ETHERS RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1986-03-05 EP disclosed
EP-0117780-A1 Process for the preparation of perhalogenoalkylthio ethers RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-09-05 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 (5 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-10308613-B2 Fluoroalkylating agent AFF1, AFF4, AFF2 ACHE 1910/4885CA1 2029/4885CA2 1015/4885
US-10696640-B2 Fluoroalkylating agent AFF1, AFF4, AFF2 ACHE 1910/4885CA1 2029/4885CA2 1015/4885
US-20190233380-A1 FLUOROALKYLATING AGENT AFF1, AFF4, AFF2 ACHE 1910/4885CA1 2029/4885CA2 1015/4885
US-20120029187-A1 HALOALKYLSULFONANILIDE DERIVATIVE CBR3, CBR1, HDHD5 ACHE 1148/4885CA1 1364/4885CA2 200/4885
US-20170197920-A1 FLUOROALKYLATING AGENT AFF1, AFF4, AFF2 ACHE 1910/4885CA1 2029/4885CA2 1015/4885

“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.