SCHEMBL3333968

SCHEMBL3333968

C=CCOC(=O)CC(=O)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
TSHR P16473 2/20 0.42
MAPT P10636 1/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
ALDH1A1 P00352 3/20 0.36
GAA P10253 1/20 0.36
CYP3A4 P08684 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
PKM P14618 1/20 0.35
EPHX2 P34913 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PLOD2 O00469 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
PLOD3 O60568 1/20 0.31
PLOD1 Q02809 1/20 0.31
LMNA P02545 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
SCHEMBL2363792 0.85 TSHR (0.40) TDP1TSHRMAPTCACNA1BAPBA1
SCHEMBL29017306 0.82 PLOD2 (0.32) GAAPLOD2PLOD3PLOD1
SCHEMBL9286605 0.81 MAPT (0.36) TDP1TSHRMAPTCACNA1BAPBA1
SCHEMBL57069 0.80 TSHR (0.52) TDP1TSHRMAPTCACNA1BAPBA1
SCHEMBL11559276 0.80 TSHR (0.46) TDP1TSHRMAPTCACNA1BAPBA1
Lithium SCHEMBL31366079 0.78 TSHR (0.50) TDP1TSHRMAPTCACNA1BAPBA1
SCHEMBL8865453 0.78 TSHR (0.50) TDP1TSHRMAPTCACNA1BAPBA1
SCHEMBL16691063 0.77 ALDH1A1 (0.41) TDP1TSHRMAPTCACNA1BAPBA1
SCHEMBL6032404 0.77 TSHR (0.40) TDP1TSHRMAPTCACNA1BAPBA1
SCHEMBL4767550 0.76 TSHR (0.48) TDP1TSHRMAPTCACNA1BAPBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022259210-A1 NOVEL PROCESS FOR PREPARATION OF 1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-5-OL INCOR RENOVIS PHARMA PRIVATE LIMITED (IN) 2022-12-15 WO claimed
EP-3486241-B1 METHOD FOR PRODUCING CRYSTAL OF URACIL COMPOUND SUMITOMO CHEMICAL CO (JP) 2022-05-04 EP claimed
US-20210323943-A1 METHOD FOR PRODUCING CRYSTAL OF URACIL COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2021-10-21 US claimed
US-10752608-B2 Method for producing crystal of uracil compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2020-08-25 US claimed
WO-2020148780-A1 PROCESS FOR PREPARATION OF 4,4,4- TRIFLUOROBUT-2-EN-1-OL AND INTERMEDIATE THEREOF SRF LIMITED (IN) 2020-07-23 WO claimed
US-10717723-B2 2020-07-21 US claimed
US-20190263780-A1 METHOD FOR PRODUCING CRYSTAL OF URACIL COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2019-08-29 US claimed
EP-3486241-A1 METHOD FOR PRODUCING CRYSTAL OF URACIL COMPOUND Sumitomo Chemical Company Limited (JP) 2019-05-22 EP claimed
EP-0599036-B1 Method for the preparation of 2-aryl-5-trifluoromethyl pyrrole compounds AMERICAN CYANAMID CO (US) 1996-12-18 EP claimed
EP-0599036-A1 Method for the preparation of 2-aryl-5-trifluoromethyl pyrrole compounds AMERICAN CYANAMID COMPANY (US) 1994-06-01 EP claimed
US-5256796-A Method for the preparation of 2-aryl-5-trifluoromethylpyrrole compounds AMERICAN CYANAMID COMPANY (US) 1993-10-26 US claimed
EP-0270724-B1 PREPARATION OF ALKYL TRIFLUOROACETOACETATE Monsanto Company (US) 1990-11-28 EP claimed
EP-0270724-A1 Preparation of alkyl trifluoroacetoacetate Monsanto Company (US) 1988-06-15 EP claimed
US-4647689-A Preparation of alkyl trifluoroacetoacetate MONSANTO COMPANY (US) 1987-03-03 US claimed
WO-2022259210-A1 NOVEL PROCESS FOR PREPARATION OF 1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-5-OL INCOR RENOVIS PHARMA PRIVATE LIMITED (IN) 2022-12-15 WO disclosed
WO-2022259210-A1 NOVEL PROCESS FOR PREPARATION OF 1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-5-OL INCOR RENOVIS PHARMA PRIVATE LIMITED (IN) 2022-12-15 WO disclosed
EP-3486241-B1 METHOD FOR PRODUCING CRYSTAL OF URACIL COMPOUND SUMITOMO CHEMICAL CO (JP) 2022-05-04 EP disclosed
US-4647689-A Preparation of alkyl trifluoroacetoacetate MONSANTO COMPANY (US) 1987-03-03 US disclosed
US-4647689-A Preparation of alkyl trifluoroacetoacetate MONSANTO COMPANY (US) 1987-03-03 US disclosed
US-4647689-A Preparation of alkyl trifluoroacetoacetate MONSANTO COMPANY (US) 1987-03-03 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 (4 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-10717723-B2 C5, UMPS, C9 TDP1 289/4885TSHR 4108/4885MAPT 1164/4885
US-20210323943-A1 METHOD FOR PRODUCING CRYSTAL OF URACIL COMPOUND UMPS, UGP2, UNG TDP1 303/4885TSHR 3906/4885MAPT 1106/4885
US-20190263780-A1 METHOD FOR PRODUCING CRYSTAL OF URACIL COMPOUND UMPS, UGP2, UNG TDP1 310/4885TSHR 3900/4885MAPT 1086/4885
US-10752608-B2 Method for producing crystal of uracil compound UMPS, UGP2, UNG TDP1 310/4885TSHR 3900/4885MAPT 1086/4885

“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.