SCHEMBL5891979

SCHEMBL5891979

[CH2]N(Cc1ccc(-c2cccc(C#N)c2)cc1)S(=O)(=O)c1ccccc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 5/20 0.47
ALDH1A1 P00352 3/20 0.39
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 3/20 0.39
MAPK1 P28482 3/20 0.39
CYP2C19 P33261 3/20 0.39
CLK4 Q9HAZ1 3/20 0.39
TSHR P16473 2/20 0.39
USP2 O75604 2/20 0.39
CYP2D6 P10635 2/20 0.39
LMNA P02545 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NR3C2 P08235 1/20 0.39
APLNR P35414 1/20 0.39
RIPK2 O43353 1/20 0.39
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
STAT3 P40763 1/20 0.38
PTPRS Q13332 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
SCHEMBL5166693 0.79 NR3C2 (0.57) ACLYALDH1A1CYP1A2CYP3A4MAPK1
SCHEMBL5167005 0.75 NR1H2 (0.42) ACLYALDH1A1CYP1A2CYP3A4MAPK1
SCHEMBL5167003 0.75 PTPN5 (0.45) ACLYPTPN2PTPN1
SCHEMBL5167825 0.74 PTPN1 (0.38) ACLYPTPN2PTPN1
SCHEMBL31225965 0.67 MMP12 (0.52) LMNANR3C2ADAMTS4MMP12MMP13
SCHEMBL7425269 0.67 PDE4A (0.63) ACLYALDH1A1TSHRLMNA
SCHEMBL12863637 0.67 PDE4A (0.56) ALDH1A1MAPK1USP2LMNAKMT2A
SCHEMBL9469524 0.66 HTR7 (0.55) ACLYALDH1A1CYP1A2CYP3A4MAPK1
SCHEMBL10244532 0.66 CYP2A6 (0.57) CLK4NR3C2MMP12MMP13
SCHEMBL8982347 0.66 CYP2A6 (0.57) CLK4NR3C2MMP12MMP13

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-20060135773-A1 Trisubstituted nitrogen modulators of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2006-06-22 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-20060135773-A1 Trisubstituted nitrogen modulators of tyrosine phosphatases PTPA, PTPN1, PTPRS ACLY 3966/4885ALDH1A1 3296/4885CYP1A2 4278/4885

“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.