SCHEMBL4873036

SCHEMBL4873036

CC(=O)N(Cl)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
NR4A1 P22736 1/20 0.43
NR4A2 P43354 1/20 0.43
NR4A3 Q92570 1/20 0.43
EPHX2 P34913 1/20 0.41
KIF11 P52732 1/20 0.41
MGLL Q99685 1/20 0.41
SRD5A2 P31213 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
GSK3B P49841 2/20 0.39
CYP1A2 P05177 1/20 0.39
PTPN1 P18031 1/20 0.39
POLQ O75417 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL12200280 0.83 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1LMNA
SCHEMBL28809584 0.81 CES2 (0.45) CES2CES1EPHX2KIF11SRD5A2
SCHEMBL14438022 0.78 SMN1; SMN2 (0.71) SMN1; SMN2CES2CES1NR4A1NR4A2
SCHEMBL3597003 0.77 SMN1; SMN2 (0.46) SMN1; SMN2CES2CES1NR4A1NR4A2
SCHEMBL3149268 0.75 LMNA (0.46) SMN1; SMN2CES2CES1ALDH1A1LMNA
SCHEMBL3150016 0.75 LMNA (0.46) SMN1; SMN2CES2CES1ALDH1A1LMNA
SCHEMBL10863831 0.75 CA2 (0.40) ALDH1A1LMNAHTT
SCHEMBL7020459 0.74 SMN1; SMN2 (0.65) SMN1; SMN2CES2CES1KIF11ALDH1A1
SCHEMBL28154008 0.74 MAPT (0.50) SMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL27712572 0.74 NOTUM (0.41) SMN1; SMN2CES2KIF11POLQ

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080166310-A1 Administration of 2-oxyacetamide compounds for promoting and/or inducing and/or stimulating the pigmentation of keratin materials and/or for limiting the depigmentation and/or bleaching thereof L'OREAL (FR) 2008-07-10 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-20080166310-A1 Administration of 2-oxyacetamide compounds for promoting and/or inducing and/or stimulating the pigmentation of keratin materials and/or for limiting the depigmentation and/or bleaching thereof KRT18, TYR, CRYAA SMN1; SMN2 2913/4885CES2 3598/4885CES1 3541/4885

“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.