SCHEMBL3474425

SCHEMBL3474425

CC(C)(Oc1ccc(F)cn1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.48
PPARG P37231 6/20 0.45
PPARA Q07869 9/20 0.41
CYP4F2 P78329 2/20 0.41
CYP4A11 Q02928 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
PPARD Q03181 4/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CXCR2 P25025 1/20 0.38
GABRA5 P31644 1/20 0.37
FABP2 P12104 1/20 0.36
SLC22A12 Q96S37 1/20 0.36

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
SCHEMBL3475307 0.81 MAP4K4 (0.49) MAP4K4PPARGPPARACYP4F2CYP4A11
SCHEMBL201045 0.81 LMNA (0.50) MAP4K4PPARGPPARAKMT2APPARD
SCHEMBL3475308 0.81 MAP4K4 (0.46) MAP4K4PPARGPPARACYP4F2CYP4A11
SCHEMBL1046555 0.80 MAP4K4 (0.48) MAP4K4PPARGPPARACYP4F2CYP4A11
SCHEMBL2824496 0.80 MAP4K4 (0.61) MAP4K4PPARGPPARACYP4F2CYP4A11
SCHEMBL3476037 0.80 MAP4K4 (0.45) MAP4K4PPARGPPARACYP4F2CYP4A11
SCHEMBL13577681 0.80 CYP4F2 (0.49) MAP4K4PPARGPPARACYP4F2CYP4A11
Hydrochloric Acid SCHEMBL199908 0.80 LMNA (0.49) MAP4K4PPARGPPARAKMT2APPARD
SCHEMBL19229876 0.78 MEN1 (0.42) MEN1KMT2AKDM4EALDH1A1CXCR2
SCHEMBL3476114 0.78 CXCR2 (0.48) MEN1KMT2AALDH1A1CXCR2L3MBTL1

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 9 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
EP-1641493-A4 RADIOLABELED CANNABINOID-1 RECEPTOR MODULATORS MERCK & CO INC (US) 2007-10-31 EP disclosed
CN-101048368-A Acyclic hydrazides as cannabinoid receptor modulators MERCK & CO INC (US) 2007-10-03 CN disclosed
EP-1807388-A2 ACYCLIC HYDRAZIDES AS CANNABINOID RECEPTOR MODULATORS Merck & Co., Inc. (US) 2007-07-18 EP disclosed
US-20060115425-A1 Substituted amides MERCK SHARP & DOHME CORP. 2006-06-01 US disclosed
WO-2006041797-A2 ACYCLIC HYDRAZIDES AS CANNABINOID RECEPTOR MODULATORS MERCK & CO., INC. (US) 2006-04-20 WO disclosed
EP-1641493-A1 RADIOLABELED CANNABINOID-1 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2006-04-05 EP disclosed
WO-2005009479-A1 RADIOLABELED CANNABINOID-1 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2005-02-03 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 (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 MAP4K4 2241/4885PPARG 152/4885PPARA 344/4885
US-20060115425-A1 Substituted amides CNR1, CNR2, FAAH MAP4K4 2487/4885PPARG 172/4885PPARA 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.