SCHEMBL1410145

SCHEMBL1410145

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 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ALOX15 P16050 2/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ 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
▸ ATM Q13315 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
▸ TACR1 P25103 1/20 0.33
▸ MEN1 O00255 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
SCHEMBL1410142 0.89 ALDH1A1 (0.37) ALDH1A1KDM4ESMN1; SMN2ALOX15HSP90AA1
SCHEMBL1410260 0.85 FFAR4 (0.44) FFAR4DPP4LMNATACR1
SCHEMBL1410170 0.76 DPP4 (0.47) ALDH1A1KDM4ESMN1; SMN2ALOX15HSP90AA1
SCHEMBL1410213 0.75 ALDH1A1 (0.36) ALDH1A1KDM4ESMN1; SMN2ALOX15HSP90AA1
SCHEMBL1410258 0.73 FFAR4 (0.44) FFAR4DPP4LMNATACR1
SCHEMBL1410217 0.70 FFAR4 (0.37) FFAR4DPP4USP2TACR1KMT2A
SCHEMBL6528497 0.69 LGMN (0.56) ALDH1A1KDM4ESMN1; SMN2ALOX15HSP90AA1
SCHEMBL1410134 0.68 ALDH1A1 (0.38) ALDH1A1KDM4ESMN1; SMN2ALOX15GSR
SCHEMBL1410264 0.68 DRD2 (0.45) ALDH1A1GSRLMNA
SCHEMBL1410097 0.66 ADRB1 (0.37) ALDH1A1FFAR4DPP4POLB

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 270/4885KDM4E 641/4885SMN1; SMN2 3209/4885

“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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