SCHEMBL162212

SCHEMBL162212

CCOC(=O)c1ccsc1[O]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.55
ALDH1A1 P00352 3/20 0.47
HSD17B10 Q99714 2/20 0.47
CA12 O43570 4/20 0.46
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
CA7 P43166 4/20 0.46
CA9 Q16790 4/20 0.46
CA14 Q9ULX7 4/20 0.46
MAPT P10636 3/20 0.44
CYP1A2 P05177 3/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
HPGD P15428 1/20 0.43
RECQL P46063 1/20 0.43

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
SCHEMBL162411 0.86 ALDH1A1 (0.58) TSHRALDH1A1HSD17B10MAPTKDM4E
SCHEMBL28618971 0.84 TSHR (0.53) TSHRALDH1A1HSD17B10CA12CA1
SCHEMBL1844052 0.83 TSHR (0.57) TSHRALDH1A1HSD17B10CA12CA1
SCHEMBL165805 0.83 TSHR (0.60) TSHRALDH1A1HSD17B10CYP1A2KDM4E
SCHEMBL5078857 0.81 TSHR (0.55) TSHRALDH1A1HSD17B10CA12CA1
SCHEMBL162374 0.81 ALDH1A1 (0.59) TSHRALDH1A1MAPTKDM4ENPC1
SCHEMBL225275 0.80 ALDH1A1 (0.54) TSHRALDH1A1HSD17B10MAPTCYP1A2
SCHEMBL28358271 0.80 TSHR (0.53) TSHRALDH1A1HSD17B10CA12CA1
SCHEMBL6034348 0.80 TSHR (0.53) TSHRALDH1A1HSD17B10CA12CA1
SCHEMBL1513079 0.80 TSHR (0.53) TSHRALDH1A1HSD17B10CA12CA1

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 TSHR 4862/4885ALDH1A1 1667/4885HSD17B10 3364/4885

“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.