SCHEMBL3149997

SCHEMBL3149997

O=C(O)CSc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.64
ALDH1A1 P00352 1/20 0.62
NR4A1 P22736 1/20 0.58
NR4A2 P43354 1/20 0.58
NR4A3 Q92570 1/20 0.58
FFAR4 Q5NUL3 1/20 0.58
LMNA P02545 1/20 0.56
CYP1A2 P05177 1/20 0.56
PTGS1 P23219 1/20 0.56
SLC6A2 P23975 1/20 0.56
CYP2C19 P33261 1/20 0.56
PTGS2 P35354 1/20 0.56
SLC6A3 Q01959 1/20 0.56
HIF1A Q16665 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
MAOB P27338 1/20 0.55
PARP10 Q53GL7 1/20 0.55
SRD5A2 P31213 1/20 0.54

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
SCHEMBL1744514 0.82 FFAR1 (0.65) FFAR1ALDH1A1PLA2G4BPPARGPPARA
SCHEMBL5511866 0.81 PPARD (0.60) FFAR1ALDH1A1NR4A1NR4A2NR4A3
SCHEMBL339178 0.80 LMNA (0.58) NR4A1NR4A2NR4A3LMNACYP1A2
SCHEMBL21451083 0.80 ALDH1A1 (0.89) FFAR1ALDH1A1LMNAMEN1KMT2A
SCHEMBL28481481 0.79 FFAR1 (1.00) FFAR1FFAR4
SCHEMBL12472999 0.78 FFAR1 (0.68) FFAR1NR4A1NR4A2NR4A3FFAR4
SCHEMBL1115002 0.78 PPARG (0.71) FFAR1ALDH1A1NR4A1NR4A2NR4A3
SCHEMBL4802655 0.77 LMNA (0.64) NR4A1NR4A2NR4A3LMNACYP1A2
SCHEMBL10337961 0.77 LMNA (0.64) NR4A1NR4A2NR4A3LMNACYP1A2
SCHEMBL74365 0.76 FFAR1 (1.00) FFAR1ALDH1A1LMNACYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137401-A1 2-METHYLPROP ANAMIDES AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2010-06-03 US disclosed
US-7687665-B2 2-(4-Chlorophenyl)-N-[(1R,2R)-2-(benzyloxy)cyclohexyl]-2-methylpropanamide; modulators of 11- beta hydroxyl steroid dehydrogenase type 1 and/or mineralocorticoid receptor INCYTE CORPORATION (US) 2010-03-30 US disclosed
US-20050288329-A1 2-Methylprop anamides and their use as pharmaceuticals INCYTE CORPORATION 2005-12-29 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-20100137401-A1 2-METHYLPROP ANAMIDES AND THEIR USE AS PHARMACEUTICALS HSD11B1, HSD11B2, HSD3B1 FFAR1 1029/4885ALDH1A1 82/4885NR4A1 664/4885
US-20050288329-A1 2-Methylprop anamides and their use as pharmaceuticals HSD11B1, HSD11B2, HSD3B1 FFAR1 1029/4885ALDH1A1 82/4885NR4A1 664/4885

“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.