SCHEMBL980390

SCHEMBL980390

CC(=O)c1ccc(C(=O)Cl)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 1/20 0.47
BRD4 O60885 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GAA P10253 2/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 4/20 0.46
MAPT P10636 4/20 0.46
POLB P06746 4/20 0.46
MEN1 O00255 2/20 0.46
PBRM1 Q86U86 1/20 0.46
NSD2 O96028 1/20 0.46
MCL1 Q07820 1/20 0.46
ALOX15 P16050 1/20 0.43
AKR1C4 P17516 1/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
AKR1C1 Q04828 1/20 0.43
ATM Q13315 1/20 0.42

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
SCHEMBL38471077 0.89 KDM4E (0.55) ALDH1A1KDM4EHPGDBRD4L3MBTL1
SCHEMBL29599305 0.89 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDBRD4L3MBTL1
SCHEMBL2154872 0.89 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDBRD4L3MBTL1
SCHEMBL10391045 0.89 KDM4E (0.55) ALDH1A1KDM4EHPGDBRD4L3MBTL1
SCHEMBL10555469 0.82 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDL3MBTL1TSHR
SCHEMBL601658 0.81 CYP1A2 (0.54) ALDH1A1KMT2AMAPTMCL1ALOX15
SCHEMBL5676787 0.81 KMT2A (0.66) ALDH1A1KDM4EHPGDBRD4L3MBTL1
SCHEMBL982547 0.80 NR4A1 (0.54) ALDH1A1KDM4EHPGDBRD4L3MBTL1
SCHEMBL31396473 0.80 NR4A1 (0.54) ALDH1A1KDM4EHPGDBRD4L3MBTL1
SCHEMBL28027192 0.80 NR4A1 (0.54) ALDH1A1KDM4EHPGDL3MBTL1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2176244-B1 Method for preparing 5-haloalkyl-4,5-dihydroisoxazole derivatives DU PONT (US) 2016-06-01 EP claimed
EP-3150575-B1 METHOD FOR PREPARING 2-AMINO-N-(2,2,2-TRIFLUOROETHYL) ACETAMIDE DU PONT (US) 2023-08-09 EP disclosed
US-11613516-B2 Method for preparing 2-amino-n-(2,2,2-trifluoroethyl) acetamide E. I. DU PONT DE NEMOURS AND COMPANY (US) 2023-03-28 US disclosed
US-10745344-B2 Method for preparing 2-amino-N-(2,2,2-trifluoroethyl) acetamide E. I. DU PONT DE NEMOURS AND COMPANY (US) 2020-08-18 US disclosed
CN-105646215-B Process for the preparation of 3-trifluoromethyl chalcones 杜邦公司 2020-04-14 CN disclosed
US-20190144374-A1 METHOD FOR PREPARING 2-AMINO-N-(2,2,2-TRIFLUOROETHYL) ACETAMIDE CORTEVA AGRISCIENCE LLC 2019-05-16 US disclosed
US-20190144373-A1 METHOD FOR PREPARING 2-AMINO-N-(2,2,2-TRIFLUOROETHYL) ACETAMIDE CORTEVA AGRISCIENCE LLC 2019-05-16 US disclosed
US-10202332-B2 Method for preparing 2-amino-N-(2,2,2-trifluoroethyl) acetamide E. I. DU PONT DE NEMOURS AND COMPANY (US) 2019-02-12 US disclosed
US-10160731-B2 Method for preparing 3-trifluoromethyl chalcones E.I. DU PONT DE NEMOURS AND COMPANY (US) 2018-12-25 US disclosed
US-20180222873-A1 METHOD FOR PREPARING 3-TRIFLUOROMETHYL CHALCONES CORTEVA AGRISCIENCE LLC 2018-08-09 US disclosed
US-8217180-B2 Method for preparing 5-haloalkyl-4,5-dihydroisoxazole derivatives E.I. DU PONT DE NEMOURS AND COMPANY (US) 2012-07-10 US disclosed
WO-2012047543-A1 METHOD FOR PREPARING 2-AMINO-N-(2,2,2-TRIFLUOROETHYL) ACETAMIDE E.I. DU PONT DE NEMOURS AND COMPANY (US) 2012-04-12 WO disclosed
CN-101990530-A Process for the preparation of 3-trifluoromethyl chalcones DU PONT 2011-03-23 CN disclosed
US-20110009638-A1 METHOD FOR PREPARING 3-TRIFLUOROMETHYL CHALCONES E.I. DU PONT DE NEMOURS AND COMPANY (DE) 2011-01-13 US disclosed
EP-2260016-A2 METHOD FOR PREPARING 3-TRIFLUOROMETHYL CHALCONES E. I. du Pont de Nemours and Company (US) 2010-12-15 EP disclosed
CN-101855215-A For preparing 5-haloalkyl-4 DU PONT 2010-10-06 CN disclosed
US-20100249424-A1 METHOD FOR PREPARING 5-HALOALKYL-4,5-DIHYDROISOXAZOLE DERIVATIVES E.I.DUPONT DE NEMOURS AND COMPANY (US) 2010-09-30 US disclosed
EP-2176244-A2 METHOD FOR PREPARING 5-HALOALKYL-4,5-DIHYDROISOXAZOLE DERIVATIVES E. I. du Pont de Nemours and Company (US) 2010-04-21 EP disclosed
WO-2009126668-A2 METHOD FOR PREPARING 3-TRIFLUOROMETHYL CHALCONES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-10-15 WO disclosed
WO-2009025983-A2 METHOD FOR PREPARING 5-HALOALKYL-4,5-DIHYDROISOXAZOLE DERIVATIVES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-02-26 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 (9 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-10160731-B2 Method for preparing 3-trifluoromethyl chalcones NR3C2, CYP4A11, RAE1 ALDH1A1 3337/4885KDM4E 313/4885HPGD 3442/4885
US-10202332-B2 Method for preparing 2-amino-N-(2,2,2-trifluoroethyl) acetamide NAAA, SAT1, NAA15 ALDH1A1 277/4885KDM4E 507/4885HPGD 1259/4885
US-20110009638-A1 METHOD FOR PREPARING 3-TRIFLUOROMETHYL CHALCONES NR3C2, CYP4A11, RAE1 ALDH1A1 3337/4885KDM4E 313/4885HPGD 3442/4885
US-11613516-B2 Method for preparing 2-amino-n-(2,2,2-trifluoroethyl) acetamide NAAA, SAT1, NAA15 ALDH1A1 277/4885KDM4E 507/4885HPGD 1259/4885
US-20100249424-A1 METHOD FOR PREPARING 5-HALOALKYL-4,5-DIHYDROISOXAZOLE DERIVATIVES PRDX2, PRXL2A, PRDX1 ALDH1A1 2265/4885KDM4E 2043/4885HPGD 822/4885
US-10745344-B2 Method for preparing 2-amino-N-(2,2,2-trifluoroethyl) acetamide NAAA, SAT1, NAA15 ALDH1A1 277/4885KDM4E 507/4885HPGD 1259/4885
US-20180222873-A1 METHOD FOR PREPARING 3-TRIFLUOROMETHYL CHALCONES NR3C2, CYP4A11, RAE1 ALDH1A1 3337/4885KDM4E 313/4885HPGD 3442/4885
US-20190144374-A1 METHOD FOR PREPARING 2-AMINO-N-(2,2,2-TRIFLUOROETHYL) ACETAMIDE NAAA, SAT1, NAA15 ALDH1A1 277/4885KDM4E 507/4885HPGD 1259/4885
US-20190144373-A1 METHOD FOR PREPARING 2-AMINO-N-(2,2,2-TRIFLUOROETHYL) ACETAMIDE NAAA, SAT1, NAA15 ALDH1A1 277/4885KDM4E 507/4885HPGD 1259/4885

“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.