SCHEMBL19317370

SCHEMBL19317370

Cc1cc(C)cc(CN[SH](=O)=O)c1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PGK1 P00558 1/20 0.34
▸ PGK2 P07205 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ IDH1 O75874 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ MAOB P27338 1/20 0.31
▸ NR3C1 P04150 1/20 0.31
▸ PGR P06401 1/20 0.31
▸ NR3C2 P08235 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ MAOA P21397 1/20 0.31
▸ CISD1 Q9NZ45 1/20 0.31
▸ POLB P06746 1/20 0.30
▸ RPS6KB1 P23443 1/20 0.30
▸ EGFR P00533 1/20 0.30
▸ TPMT P51580 1/20 0.30

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
SCHEMBL17576038 0.86 RPS6KB1 (0.36) NR3C1PGRNR3C2RPS6KB1
SCHEMBL15840092 0.77 SMN1; SMN2 (0.46) KMT2AGAAHPGDALDH1A1POLB
SCHEMBL18932620 0.72 ALDH1A1 (0.38) PGK1PGK2GAAIDH1ALDH1A1
SCHEMBL15218453 0.71 KMT2A (0.47) KMT2ANR3C1PGRNR3C2ALDH1A1
SCHEMBL4832407 0.70 KDM4E (0.44) PGK1PGK2IDH1ALDH1A1TSHR
SCHEMBL465569 0.70 GAA (0.49) PGK1PGK2KMT2AGAAHPGD
Hydrochloric Acid SCHEMBL5705745 0.69 KDM4E (0.48) PGK1PGK2IDH1ALDH1A1TSHR
SCHEMBL31276885 0.69 IDO1 (0.44) PGK1PGK2KMT2AGAAALDH1A1
SCHEMBL8433070 0.69 CHRM2 (0.45) KMT2AALDH1A1TSHRMAOA
SCHEMBL27795929 0.69 PGK1 (0.38) PGK1PGK2KMT2AIDH1HPGD

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-20170253569-A1 THIAZOLIDINONE COMPOUNDS AND USE THEREOF REGENTS OF THE UNIVERSITY OF MINNESOTA 2017-09-07 — — 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-20170253569-A1 THIAZOLIDINONE COMPOUNDS AND USE THEREOF OPRL1, OPRD1, OPRK1 PGK1 3241/4885PGK2 2813/4885KMT2A 3536/4885

“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.

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