SCHEMBL5986606

SCHEMBL5986606

CCCNC(=O)CC(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.47
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP9 P14780 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
EPHX1 P07099 1/20 0.39
CASP2 P42575 1/20 0.38
CNR1 P21554 1/20 0.37
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
KDM4C Q9H3R0 1/20 0.35
NAAA Q02083 1/20 0.35
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CTSD P07339 1/20 0.34

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
SCHEMBL5987834 0.87 CASP2 (0.48) MMP2MEN1KMT2AEPHX1CASP2
SCHEMBL13475438 0.80 MCL1 (0.45) MCL1MMP1MMP2MMP3MMP9
SCHEMBL1577892 0.79 SMN1; SMN2 (0.53) MCL1MMP1MMP2MMP3MMP9
SCHEMBL10533934 0.79 ALDH1A1 (0.44) MEN1KMT2ACNR1LMNAGAA
Bromide SCHEMBL11194274 0.78 MCL1 (0.40) MCL1MMP1MMP2MMP3MMP9
SCHEMBL5907647 0.77 ALDH1A1 (0.48) MCL1MMP1MMP2MMP3MMP9
Bromide SCHEMBL11213497 0.77 ALDH1A1 (0.48) MCL1MMP1MMP2MMP3MMP9
SCHEMBL14752354 0.76 MCL1 (0.45) MCL1MMP1MMP2MMP3MMP9
SCHEMBL14655233 0.76 MCL1 (0.45) MCL1MMP1MMP2MMP3MMP9
SCHEMBL26151157 0.76 MCL1 (0.45) MCL1MMP1MMP2MMP3MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 3996/4885MMP1 649/4885MMP2 594/4885
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE REN, AGTR1, AGTR2 MCL1 4637/4885MMP1 877/4885MMP2 805/4885

“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.