SCHEMBL979130

SCHEMBL979130

O=C(c1cc(Br)cc(C(F)(F)F)c1)C(F)(F)F

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.62
CES2 O00748 2/20 0.50
ACHE P22303 1/20 0.43
MLYCD O95822 2/20 0.43
ACP1 P24666 1/20 0.42
CES1 P23141 1/20 0.41
DDR1 Q08345 2/20 0.40
TAS2R14 Q9NYV8 1/20 0.40
HDAC3 O15379 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
GPBAR1 Q8TDU6 1/20 0.38
GAA P10253 1/20 0.38
TMPRSS4 Q9NRS4 1/20 0.38

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
SCHEMBL113434 0.86 CES2 (0.67) NOTUMCES2ACHEMLYCDCES1
SCHEMBL2560056 0.86 CES1 (0.48) NOTUMACHEMLYCDCES1
SCHEMBL13095524 0.85 ACHE (0.57) NOTUMACHEMLYCDCES1DDR1
SCHEMBL31144857 0.85 NOTUM (0.62) NOTUMCES2ACP1DDR1TAS2R14
SCHEMBL627581 0.85 NOTUM (0.62) NOTUMCES2ACP1DDR1TAS2R14
SCHEMBL494019 0.82 NOTUM (0.64) NOTUMCES2ACP1DDR1TAS2R14
SCHEMBL30253392 0.81 NOTUM (0.62) NOTUMCES2ACP1CES1DDR1
SCHEMBL766077 0.81 NOTUM (0.67) NOTUMCES2ACP1DDR1TAS2R14
SCHEMBL477562 0.81 NOTUM (0.62) NOTUMCES2ACP1CES1DDR1
SCHEMBL27856957 0.81 NOTUM (0.62) NOTUMCES2ACP1CES1DDR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105566089-B The method for being used to prepare 3- trifluoromethyl chalcones 杜邦公司 2019-07-02 CN claimed
EP-2706053-B1 Method for preparing 2-trifluoromethyl ketones DU PONT (US) 2016-10-26 EP claimed
CN-105646215-A Method for preparing 3-trifluoromethyl chalcones 杜邦公司 2016-06-08 CN claimed
EP-2706053-A1 Method for preparing 2-trifluoromethyl ketones E. I. du Pont de Nemours and Company (US) 2014-03-12 EP claimed
US-20110009638-A1 METHOD FOR PREPARING 3-TRIFLUOROMETHYL CHALCONES E.I. DU PONT DE NEMOURS AND COMPANY (DE) 2011-01-13 US claimed
CN-113651710-B Preparation method of 3, 5-substituted-4-amino trifluoroacetophenone and derivatives thereof 台州臻挚生物科技有限公司 2024-06-21 CN disclosed
EP-3013808-B1 ISOTHIAZOLINE COMPOUNDS SUBSTITUTED WITH A CARBOBICYCLIC GROUP BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2020-04-15 EP disclosed
EP-3013807-B1 NAPHTHYL-SUBSTITUTED ISOTHIAZOLINE COMPOUNDS BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2020-04-08 EP disclosed
CN-105566089-B The method for being used to prepare 3- trifluoromethyl chalcones 杜邦公司 2019-07-02 CN disclosed
US-10327446-B2 Naphthyl- or isoquinolinyl-substituted isothiazoline compounds Boehringer Ingelheim Animal Health USA Inc. (US) 2019-06-25 US disclosed
US-20160374342-A1 Naphthyl- or isoquinolinyl-substituted isothiazoline compounds MERIAL, INC. (US) 2016-12-29 US disclosed
EP-2706053-B1 Method for preparing 2-trifluoromethyl ketones DU PONT (US) 2016-10-26 EP disclosed
WO-2014029707-A1 METHODS OF CONTROLLING INSECTS SYNGENTA PARTICIPATIONS AG (CH) 2014-02-27 WO disclosed
US-8318757-B2 Substituted isoxazoline compound and pest control agent NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-11-27 US disclosed
US-8242283-B2 Isoxazoline compound and pesticide NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-08-14 US disclosed
US-20110172414-A1 ISOXAZOLINE COMPOUND AND PESTICIDE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-07-14 US disclosed
US-7947715-B2 Isoxazoline compound and pesticide NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-05-24 US disclosed
US-20110009438-A1 SUBSTITUTED ISOXAZOLINE COMPOUND AND PEST CONTROL AGENT NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-01-13 US disclosed
EP-2199287-A1 SUBSTITUTED ISOXAZOLINE COMPOUND AND PEST CONTROL AGENT Nissan Chemical Industries, Ltd. (JP) 2010-06-23 EP disclosed
US-20090156643-A1 Substituted isoxazoline compound and pesticide NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-06-18 US 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 (6 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-20110172414-A1 ISOXAZOLINE COMPOUND AND PESTICIDE HCRTR1, HAX1, CHRM1 NOTUM 854/4885CES2 959/4885ACHE 113/4885
US-20110009638-A1 METHOD FOR PREPARING 3-TRIFLUOROMETHYL CHALCONES NR3C2, CYP4A11, RAE1 NOTUM 1579/4885CES2 1616/4885ACHE 2411/4885
US-20090156643-A1 Substituted isoxazoline compound and pesticide HCRTR1, CBR1, CHRM1 NOTUM 914/4885CES2 867/4885ACHE 79/4885
US-20160374342-A1 Naphthyl- or isoquinolinyl-substituted isothiazoline compounds IPO5, SNX1, IPO9 NOTUM 382/4885CES2 3003/4885ACHE 55/4885
US-20110009438-A1 SUBSTITUTED ISOXAZOLINE COMPOUND AND PEST CONTROL AGENT CCR10, H1-10, CCL11 NOTUM 3342/4885CES2 1100/4885ACHE 347/4885
US-10327446-B2 Naphthyl- or isoquinolinyl-substituted isothiazoline compounds IPO5, SNX1, IPO9 NOTUM 382/4885CES2 3003/4885ACHE 55/4885

“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.