SCHEMBL257674

SCHEMBL257674

Cc1cc(C(=O)c2ccccc2F)ccc1C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.64
CDC25B P30305 2/20 0.57
HSD17B10 Q99714 2/20 0.57
CDC25A P30304 1/20 0.57
AKR1C3 P42330 3/20 0.51
POLB P06746 2/20 0.51
KDM4E B2RXH2 2/20 0.47
GAA P10253 1/20 0.46
ATM Q13315 1/20 0.45
LMNA P02545 2/20 0.44
NOTUM Q6P988 1/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
ABCC9 O60706 1/20 0.44
ABCC8 Q09428 1/20 0.44
KCNJ11 Q14654 1/20 0.44
KCNJ8 Q15842 1/20 0.44
NR4A1 P22736 1/20 0.44
MEN1 O00255 1/20 0.43
GMNN O75496 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
SCHEMBL15197083 0.87 ALDH1A1 (0.68) ALDH1A1CDC25BHSD17B10CDC25APOLB
SCHEMBL8962320 0.87 CDC25B (0.77) ALDH1A1CDC25BHSD17B10CDC25AAKR1C3
SCHEMBL5310854 0.84 ALDH1A1 (0.73) ALDH1A1CDC25BHSD17B10CDC25AAKR1C3
SCHEMBL10047545 0.83 ALDH1A1 (0.55) ALDH1A1HSD17B10POLBKDM4EGAA
SCHEMBL256745 0.82 CDC25B (0.51) ALDH1A1CDC25BHSD17B10CDC25AAKR1C3
SCHEMBL8643921 0.81 ALDH1A1 (0.64) ALDH1A1CDC25BHSD17B10CDC25AAKR1C3
SCHEMBL15197122 0.81 ALDH1A1 (0.54) ALDH1A1CDC25BHSD17B10CDC25AKDM4E
SCHEMBL1538506 0.80 ALDH1A1 (0.61) ALDH1A1CDC25BHSD17B10CDC25AAKR1C3
SCHEMBL29893875 0.80 ALDH1A1 (0.61) ALDH1A1CDC25BHSD17B10CDC25AAKR1C3
SCHEMBL257371 0.79 KMT2A (0.51) ALDH1A1HSD17B10POLBKDM4EGAA

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 5 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-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
US-20130217692-A1 CYCLIC AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-08-22 US 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 ALDH1A1 538/4885CDC25B 497/4885HSD17B10 146/4885

“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.