SCHEMBL162737

SCHEMBL162737

CC(C)(C)OC(=O)c1ccsc1[O]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPK1 P28482 2/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
GRM6 O15303 1/20 0.34
EGFR P00533 1/20 0.34
POLB P06746 1/20 0.33

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
SCHEMBL4144275 0.80 ALDH1A1 (0.53) ALDH1A1KDM4EMAPK1GLAGAA
SCHEMBL18800846 0.80 ALDH1A1 (0.36) ALDH1A1KDM4EMAPK1GLAGAA
SCHEMBL17215600 0.80 ALDH1A1 (0.36) ALDH1A1KDM4EMAPK1GLAGAA
SCHEMBL163274 0.79 KMT2A (0.53) ALDH1A1KDM4EMEN1KMT2ACA12
SCHEMBL8565732 0.77 CA12 (0.36) ALDH1A1KDM4EMAPK1GLAGAA
SCHEMBL10627226 0.77 PTK2 (0.50) KDM4EHPGDMEN1KMT2ASMN1; SMN2
SCHEMBL11389303 0.77 MAPK8 (0.36) ALDH1A1MAPK1HPGDMEN1KMT2A
SCHEMBL21543943 0.76 ALDH1A1 (0.40) ALDH1A1KDM4EMAPK1GLAGAA
Cyclohexane SCHEMBL6031613 0.76 ALDH1A1 (0.49) ALDH1A1KDM4EMAPK1GLAGAA
SCHEMBL162212 0.74 TSHR (0.55) ALDH1A1KDM4EMAPK1GAAHPGD

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9856210-B2 Pharmaceutical composition for prevention and treatment of amyotrophic lateral sclerosis KYOTO UNIVERSITY (JP) 2018-01-02 US disclosed
EP-2611437-B1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS UNIV KYOTO (JP) 2017-03-29 EP disclosed
US-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2013-08-29 US disclosed
EP-2611437-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS Kyoto University (JP) 2013-07-10 EP disclosed
WO-2012029994-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2012-03-08 WO 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-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS SMN1; SMN2, SOD1, SOD3 ALDH1A1 1667/4885KDM4E 2214/4885MAPK1 2988/4885

“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.