SCHEMBL18025366

SCHEMBL18025366

C#CCOc1ccc(NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 2/20 0.47
PTPN11 Q06124 1/20 0.46
MAPT P10636 1/20 0.45
ADAMTS4 O75173 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
PSMB8 P28062 1/20 0.42
NAMPT P43490 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
MAPKAPK2 P49137 1/20 0.42
LIPE Q05469 1/20 0.42
POLB P06746 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL14645383 0.87 PTPN11 (0.44) CYP17A1PTPN11ADAMTS4NPC1RAB9A
SCHEMBL8575829 0.82 KMT2A (0.63) MAPTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL22019039 0.82 MAPT (0.37) PTPN11MAPTCHRNB2CHRNB4CHRNA3
SCHEMBL26079042 0.81 CYP17A1 (0.50) CYP17A1PTPN11ADAMTS4NPC1RAB9A
SCHEMBL25870990 0.81 CYP17A1 (0.50) CYP17A1PTPN11MAPTPSMB8NAMPT
SCHEMBL627043 0.81 ALDH1A1 (0.53) CYP17A1PTPN11MAPTADAMTS4NPC1
SCHEMBL254714 0.80 PTPN11 (0.51) CYP17A1PTPN11PSMB8NAMPTMAPKAPK2
SCHEMBL2040098 0.80 KMT2A (0.65) MAPTRAB9ASMN1; SMN2MEN1LMNA
SCHEMBL23817020 0.80 CYP17A1 (0.48) CYP17A1ADAMTS4MAP4K4FAAH
SCHEMBL3335259 0.79 FAAH (0.62) FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9988492-B2 Methods for post-fabrication functionalization of poly(ester ureas) THE UNIVERSITY OF AKRON (US) 2018-06-05 US disclosed
US-20160237212-A1 METHODS FOR POST-FABRICATION FUNCTIONALIZATION OF POLY(ESTER UREAS) THE UNIVERSITY OF AKRON (US) 2016-08-18 US 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-20160237212-A1 METHODS FOR POST-FABRICATION FUNCTIONALIZATION OF POLY(ESTER UREAS) PTMS, MUSK, DSTYK CYP17A1 3077/4885PTPN11 2864/4885MAPT 625/4885

“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.