SCHEMBL5987745

SCHEMBL5987745

CCCNC(=O)CC(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.47
LMNA P02545 2/20 0.41
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP9 P14780 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
EPHX1 P07099 2/20 0.39
KDM4C Q9H3R0 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CASP2 P42575 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
CNR1 P21554 1/20 0.37
GAA P10253 2/20 0.37
NAAA Q02083 1/20 0.35

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
SCHEMBL20928420 0.84 MCL1 (0.45) MCL1LMNAMMP1MMP2MMP3
SCHEMBL28527841 0.84 EPHX1 (0.61) KMT2AMEN1EPHX1CASP2ALDH1A1
SCHEMBL11996532 0.81 MCL1 (0.43) MCL1LMNAMMP1MMP2MMP3
SCHEMBL20003982 0.80 MCL1 (0.50) MCL1LMNAMMP1MMP2MMP3
SCHEMBL2730881 0.79 MCL1 (0.48) MCL1LMNAMMP1MMP2MMP3
SCHEMBL4311511 0.77 MCL1 (0.47) MCL1LMNAMMP1MMP2MMP3
SCHEMBL21307803 0.76 MCL1 (0.45) MCL1LMNAMMP1MMP2MMP3
SCHEMBL499024 0.75
SCHEMBL7680026 0.75 MCL1 (0.58) MCL1LMNAMMP1MMP2MMP3
SCHEMBL20613710 0.74 MCL1 (0.44) MCL1LMNAMMP1MMP2MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3189050-B1 ANTIVIRAL AGENTS AND USES THEREOF UNIV GRIFFITH (AU) 2020-02-05 EP disclosed
EP-2580211-B1 PROCESS FOR THE PREPARATION OF DIHYDROPYRROLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2015-08-19 EP disclosed
EP-2536698-B1 ISOXAZOLINE DERIVATIVES AS INSECTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2015-06-10 EP disclosed
US-8658639-B2 N-substituted-cyclic amino derivative DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2014-02-25 US disclosed
US-8658639-B2 N-substituted-cyclic amino derivative DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2014-02-25 US disclosed
US-8389511-B2 Bicyclic heterocyclic derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-03-05 US disclosed
US-8389511-B2 Bicyclic heterocyclic derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-03-05 US disclosed
US-20120316124-A1 ISOXAZOLINE DERIVATIVES AS INSECTICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-12-13 US disclosed
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-05-17 US disclosed
EP-2447264-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-05-02 EP disclosed
US-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE DAINIPPON SUMITOMO PHARMA CO. 2011-08-04 US disclosed
US-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE DAINIPPON SUMITOMO PHARMA CO. 2011-08-04 US disclosed
WO-2010150840-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE 大日本住友製薬株式会社 (JP) 2010-12-29 WO disclosed
EP-2243779-A1 BICYCLIC HETEROCYCLIC DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2010-10-27 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 (3 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-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE REN, AGTR1, AGTR2 MCL1 3996/4885LMNA 1964/4885MMP1 649/4885
US-20120316124-A1 ISOXAZOLINE DERIVATIVES AS INSECTICIDES CHRM1, ACHE, P2RX7 MCL1 2969/4885LMNA 1645/4885MMP1 1498/4885
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE REN, AGTR1, AGTR2 MCL1 4637/4885LMNA 1723/4885MMP1 877/4885

“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.