SCHEMBL20110940

SCHEMBL20110940

COc1ccccc1C(C)(C)CC(=O)S

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CTSD P07339 1/20 0.40
ATM Q13315 1/20 0.40
CTNNB1 P35222 1/20 0.39
WNT3A P56704 1/20 0.39
LMNA P02545 2/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
CA4 P22748 1/20 0.39
NFE2L2 Q16236 1/20 0.38
KDM4E B2RXH2 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
SCHEMBL30040484 0.85 POLB (0.50) GAAMEN1KMT2ASMN1; SMN2POLB
SCHEMBL6892090 0.85 POLB (0.50) GAAMEN1KMT2ASMN1; SMN2POLB
SCHEMBL18121310 0.84 PTGS2 (0.44) ALDH1A1ATMLMNAKDM4ECYP1A2
SCHEMBL27810414 0.83 GAA (0.46) GAAMEN1KMT2ASMN1; SMN2POLB
SCHEMBL2623830 0.82 MEN1 (0.43) GAAMEN1KMT2ASMN1; SMN2POLB
SCHEMBL20110927 0.81 ALDH1A1 (0.46) MEN1KMT2APOLBALDH1A1ATM
SCHEMBL18121460 0.81 ALDH1A1 (0.44) GAAALDH1A1ATMKDM4EHPGD
SCHEMBL4470391 0.81 ATM (0.44) GAAMEN1KMT2ASMN1; SMN2POLB
SCHEMBL12863853 0.81 KMT2A (0.41) GAAMEN1KMT2ASMN1; SMN2POLB
SCHEMBL20110948 0.80 ALDH1A1 (0.33) GAAKMT2ASMN1; SMN2ALDH1A1ATM

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-10689335-B2 Hydrogen sulfide precursors and conjugates thereof GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2020-06-23 US disclosed
US-20180118674-A1 HYDROGEN SULFIDE PRECURSORS AND CONJUGATES THEREOF GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC (US) 2018-05-03 US disclosed
US-20180118674-A1 HYDROGEN SULFIDE PRECURSORS AND CONJUGATES THEREOF GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC (US) 2018-05-03 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-10689335-B2 Hydrogen sulfide precursors and conjugates thereof CBS, TST, STS GAA 958/4885MEN1 423/4885KMT2A 3590/4885
US-20180118674-A1 HYDROGEN SULFIDE PRECURSORS AND CONJUGATES THEREOF CBS, TST, STS GAA 958/4885MEN1 423/4885KMT2A 3590/4885

“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.