SCHEMBL7541786

SCHEMBL7541786

CC(OC(N)=O)SCc1ccccc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 3/20 0.42
LMNA P02545 1/20 0.42
FOLH1 Q04609 1/20 0.41
PPARG P37231 5/20 0.40
PPARA Q07869 5/20 0.40
MAPT P10636 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MEN1 O00255 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP2C9 P11712 1/20 0.38
HIF1A Q16665 1/20 0.38
HTT P42858 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.38
TP53 P04637 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
SCHEMBL7537298 0.82 AKR1B1 (0.40) ALDH1A1KMT2AMAPTHIF1AKDM4E
SCHEMBL21961155 0.80 ALDH1A1 (0.50) ALDH1A1GAAKMT2ALMNAFOLH1
SCHEMBL7535941 0.79 PTGDR2 (0.37) ALDH1A1KMT2ALMNAMEN1SMN1; SMN2
SCHEMBL7539277 0.78 KMT2A (0.45) ALDH1A1KMT2ALMNAFOLH1CYP2C9
SCHEMBL7535995 0.77 WDR5 (0.42) ALDH1A1GAAKMT2ARAB9AMEN1
SCHEMBL448073 0.74 ALDH1A1 (0.44) ALDH1A1GAAKMT2ALMNAFOLH1
SCHEMBL29184088 0.71 LMNA (0.39) ALDH1A1KMT2ALMNAMAPTNPC1
SCHEMBL4215184 0.71 ALDH1A1 (0.54) ALDH1A1GAAKMT2ALMNAFOLH1
SCHEMBL28560174 0.70 ALDH1A1 (0.57) ALDH1A1GAAKMT2ALMNAFOLH1
SCHEMBL7536344 0.70 MYC (0.42) ALDH1A1GAAKMT2ALMNAFOLH1

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-20020094993-A1 Compositions for repelling crawling insects S.C. JOHNSON & SON, INC. 2002-07-18 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-20020094993-A1 Compositions for repelling crawling insects ACHE, DDT, GAP43 ALDH1A1 1488/4885GAA 4156/4885KMT2A 3439/4885

“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.