SCHEMBL4435858

SCHEMBL4435858

CC(C(=O)N(C)C)c1ccc(F)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.47
AKR1C2 P52895 3/20 0.47
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
APP P05067 4/20 0.44
PTGS1 P23219 3/20 0.44
PTGS2 P35354 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
PSEN1 P49768 2/20 0.44
PSEN2 P49810 2/20 0.44
APH1B Q8WW43 2/20 0.44
NCSTN Q92542 2/20 0.44
APH1A Q96BI3 2/20 0.44
PSENEN Q9NZ42 2/20 0.44
FABP2 P12104 1/20 0.44
TSHR P16473 1/20 0.44
AKR1C4 P17516 1/20 0.44

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
SCHEMBL31424339 0.85 AKR1C3 (0.41) AKR1C3AKR1C2APPPTGS1PTGS2
SCHEMBL7320020 0.80 AKR1C3 (0.74) AKR1C3AKR1C2APPPTGS1PTGS2
SCHEMBL4425970 0.79 KMT2A (0.44) KMT2A
SCHEMBL1533399 0.79 AKR1C3 (0.67) AKR1C3AKR1C2APPPTGS1PTGS2
SCHEMBL18255544 0.79 AKR1C3 (0.54) AKR1C3AKR1C2CES2CES1APP
SCHEMBL11460560 0.78 AKR1C3 (0.43) AKR1C3AKR1C2PTGS1PTGS2CYP2C9
SCHEMBL18252778 0.78 AKR1C3 (0.49) AKR1C3AKR1C2CES2CES1APP
SCHEMBL4435818 0.77 MEN1 (0.48) CES2CES1MEN1KMT2AHPGD
SCHEMBL10443281 0.76 AKR1C3 (0.51) AKR1C3AKR1C2CES2CES1APP
SCHEMBL19286774 0.75 AKR1C3 (0.47) AKR1C3AKR1C2CES2CES1APP

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-7538121-B2 Vanilloid receptor modulators GLAXO GROUP LIMITED (GB) 2009-05-26 US disclosed
EP-2033953-A1 Vanilloid receptor modulators Glaxo Group Limited (GB) 2009-03-11 EP disclosed
US-20060142333-A1 Vanilloid receptor modulators MACDONALD GREGOR J 2006-06-29 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 (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-20060142333-A1 Vanilloid receptor modulators TRPV1, NPSR1, TRPV3 AKR1C3 748/4885AKR1C2 1016/4885CES2 1914/4885

“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.