SCHEMBL1410142

SCHEMBL1410142

CCOC(=O)CCC1CCN(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)S1(O)O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.37
▸ ALOX15 P16050 2/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ GSR P00390 1/20 0.35
▸ FFAR4 Q5NUL3 3/20 0.34
▸ DPP4 P27487 1/20 0.34
▸ USP2 O75604 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ MGLL Q99685 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL1410145 0.89 ALDH1A1 (0.37) ALDH1A1ALOX15HSP90AA1HSD17B10KDM4E
SCHEMBL1410258 0.85 FFAR4 (0.44) FFAR4DPP4LMNA
SCHEMBL1410170 0.76 DPP4 (0.47) ALDH1A1ALOX15HSP90AA1HSD17B10KDM4E
SCHEMBL1410260 0.73 FFAR4 (0.44) FFAR4DPP4LMNA
SCHEMBL6528497 0.69 LGMN (0.56) ALDH1A1ALOX15HSP90AA1HSD17B10KDM4E
SCHEMBL1410213 0.69 ALDH1A1 (0.36) ALDH1A1ALOX15HSP90AA1HSD17B10KDM4E
SCHEMBL1410216 0.68 FFAR4 (0.37) ALDH1A1ALOX15HSP90AA1HSD17B10FFAR4
SCHEMBL1410214 0.68 FFAR4 (0.37) ALDH1A1ALOX15HSP90AA1HSD17B10FFAR4
SCHEMBL1410134 0.68 ALDH1A1 (0.38) ALDH1A1ALOX15KDM4ESMN1; SMN2GSR
SCHEMBL1410264 0.68 DRD2 (0.45) ALDH1A1GSRLMNA

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
EP-2295406-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL (JP) 2014-04-23 — — EP disclosed
US-8338622-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-25 — — US disclosed
US-20110251187-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-13 — — US disclosed
EP-2295406-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-03-16 — — 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 (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-20110251187-A1 HETEROCYCLIC COMPOUND NES, BMI1, DOT1L ALDH1A1 270/4885ALOX15 1884/4885HSP90AA1 4286/4885

“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.

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