SCHEMBL3476030

SCHEMBL3476030

Cc1ccnc(OC(C)(C)C(=O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.45
CYP4A11 Q02928 3/20 0.45
PPARA Q07869 9/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C19 P33261 1/20 0.41
PPARG P37231 6/20 0.40
MAP4K4 O95819 1/20 0.40
CYP2C9 P11712 2/20 0.39
UHRF1 Q96T88 1/20 0.38
CCR1 P32246 1/20 0.38
CCR5 P51681 1/20 0.38
CCR8 P51685 1/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL5150473 1.00 CYP4F2 (0.45) CYP4F2CYP4A11PPARAMEN1KMT2A
SCHEMBL5150487 0.85 UHRF1 (0.37) CYP4F2CYP4A11MEN1KMT2AUHRF1
SCHEMBL22070904 0.81 PPARA (0.49) PPARACYP1A2CYP3A4CYP2C19PPARG
SCHEMBL3370613 0.80 PPARA (0.48) CYP4F2CYP4A11PPARAPPARGALDH1A1
SCHEMBL16231402 0.78 UHRF1 (0.46) MEN1KMT2AUHRF1CCR1CCR5
SCHEMBL31422488 0.77 CYP4F2 (0.51) CYP4F2CYP4A11PPARAMEN1KMT2A
SCHEMBL3368880 0.76 CNR1 (0.46) CYP4F2CYP4A11PPARAMEN1KMT2A
SCHEMBL3231973 0.75 UHRF1 (0.43) MEN1KMT2AUHRF1CCR1CCR5
SCHEMBL3475307 0.75 MAP4K4 (0.49) CYP4F2CYP4A11PPARAMEN1KMT2A
SCHEMBL3374708 0.75 MAPT (0.41) PPARAMEN1KMT2ACYP1A2CYP3A4

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
US-7754188-B2 Radiolabeled cannabinoid-1 receptor modulators MERCK SHARP & DOHME CORP. (US) 2010-07-13 US disclosed
US-20080076805-A1 Acyclic Hydrazides as Cannabinoid Receptor Modulators MERCK SHARP & DOHME CORP. 2008-03-27 US disclosed
CN-101048368-A Acyclic hydrazides as cannabinoid receptor modulators MERCK & CO INC (US) 2007-10-03 CN disclosed
US-20060115425-A1 Substituted amides MERCK SHARP & DOHME CORP. 2006-06-01 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 (2 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-20080076805-A1 Acyclic Hydrazides as Cannabinoid Receptor Modulators CNR1, CNR2, FAAH CYP4F2 1765/4885CYP4A11 595/4885PPARA 344/4885
US-20060115425-A1 Substituted amides CNR1, CNR2, FAAH CYP4F2 1449/4885CYP4A11 2098/4885PPARA 213/4885

“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.