SCHEMBL2220561

SCHEMBL2220561

FC(F)(CI)CN1CCOCC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.36
EPAS1 Q99814 1/20 0.36
USP2 O75604 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
CYP2A13 Q16696 3/20 0.35
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 2/20 0.34
KEAP1 Q14145 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 1/20 0.34
CXCR4 P61073 1/20 0.33
HTT P42858 1/20 0.32

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
SCHEMBL2220927 0.78 KDM4E (0.43) HIF1AEPAS1USP2KDM4EALDH1A1
SCHEMBL14654118 0.77 USP2 (0.41) HIF1AEPAS1USP2HRH3CYP2A13
SCHEMBL21260788 0.74 MEN1 (0.30) MEN1KMT2A
SCHEMBL20623013 0.73 ALDH1A1 (0.39) HIF1AEPAS1USP2KDM4EALDH1A1
SCHEMBL2377385 0.73 USP2 (0.38) HIF1AEPAS1USP2HRH3CYP2A13
SCHEMBL27568114 0.71 SMN1; SMN2 (0.48) USP2HRH3KDM4EALDH1A1KEAP1
SCHEMBL15885693 0.70 MEN1 (0.33) HIF1AEPAS1HRH3CYP2A13KDM4E
SCHEMBL20621565 0.70 ALDH1A1 (0.37) HIF1AEPAS1USP2CYP2A13KDM4E
SCHEMBL14976739 0.70 MEN1 (0.46) HIF1AEPAS1USP2HRH3CYP2A13
SCHEMBL16565650 0.68 SMN1; SMN2 (0.39) USP2KDM4EALDH1A1KEAP1SMN1; SMN2

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
EP-2515657-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-10-31 EP disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US disclosed
WO-2011084402-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 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-20120264735-A1 TYROSINE KINASE INHIBITORS ABL1, MET, ERBB2 HIF1A 1390/4885EPAS1 1109/4885USP2 2277/4885

“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.