SCHEMBL257226

SCHEMBL257226

CCCCOC(=O)c1ccc(Br)cc1CO

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.55
TSHR P16473 8/20 0.54
TDP1 Q9NUW8 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
MAPK1 P28482 4/20 0.49
CYP3A4 P08684 3/20 0.49
TP53 P04637 1/20 0.49
ESR1 P03372 5/20 0.48
ALDH1A1 P00352 6/20 0.48
HSD17B10 Q99714 2/20 0.48
LMNA P02545 4/20 0.48
KDM4E B2RXH2 3/20 0.46
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2D6 P10635 1/20 0.44
NR1H2 P55055 1/20 0.44
RNASEL Q05823 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
THRB P10828 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL232582 0.85 TSHR (0.65) ATMTSHRTDP1L3MBTL1MAPK1
SCHEMBL19684925 0.82 ATM (0.57) ATMTSHRTDP1L3MBTL1MAPK1
SCHEMBL4628527 0.81 ATM (0.60) ATMTSHRTDP1L3MBTL1MAPK1
SCHEMBL28877583 0.81 ATM (0.60) ATMTSHRTDP1L3MBTL1MAPK1
SCHEMBL30622008 0.81 ATM (0.56) ATMTSHRTDP1L3MBTL1MAPK1
SCHEMBL23839278 0.81 ATM (0.60) ATMTSHRTDP1L3MBTL1MAPK1
SCHEMBL28366858 0.81 TSHR (0.66) ATMTSHRTDP1L3MBTL1MAPK1
SCHEMBL24801170 0.80 ATM (0.55) ATMTSHRTDP1L3MBTL1MAPK1
SCHEMBL4626673 0.79 TSHR (0.67) ATMTSHRTDP1L3MBTL1MAPK1
SCHEMBL8477700 0.79 TSHR (0.75) TSHRTDP1L3MBTL1MAPK1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895552-B2 Cyclic amide derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-11-25 US disclosed
US-20130217692-A1 CYCLIC AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-08-22 US disclosed
EP-2612848-A1 CYCLIC AMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2013-07-10 EP disclosed
WO-2012029942-A1 CYCLIC AMIDE DERIVATIVE 大日本住友製薬株式会社 (JP) 2012-03-08 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 (1 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-20130217692-A1 CYCLIC AMIDE DERIVATIVE HDAC10, H1-10, H1-0 ATM 2772/4885TSHR 914/4885TDP1 4667/4885

“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.