SCHEMBL10024498

SCHEMBL10024498

O=[N+]([O-])c1ccccc1SCC(O)C(O)CS

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE7A Q13946 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MAPT P10636 6/20 0.40
▸ ALDH1A1 P00352 5/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ CRBN Q96SW2 1/20 0.40
▸ KMT2A Q03164 6/20 0.39
▸ MEN1 O00255 5/20 0.39
▸ GAA P10253 3/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ ALPG P10696 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ GSTP1 P09211 1/20 0.38
▸ GSTM2 P28161 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ KDM4A O75164 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
SCHEMBL10024451 0.89 PDE7A (0.40) PDE7ASMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL11294731 0.80 PDE7A (0.45) PDE7ASMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL10970030 0.79 MAPT (0.49) PDE7ASMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL10024452 0.79 APEX1 (0.62) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL10024485 0.78 TSHR (0.43) SMN1; SMN2MAPTALDH1A1KMT2AMEN1
SCHEMBL16063177 0.77 MAPT (0.41) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL3798822 0.76 PDE7A (0.47) PDE7ASMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL10024450 0.76 TSHR (0.46) SMN1; SMN2MAPTALDH1A1KDM4EKMT2A
SCHEMBL10055062 0.74 MAPT (0.32) MAPTKMT2AADAM17ATM
SCHEMBL7293896 0.74 PDE7A (0.51) PDE7ASMN1; SMN2MAPTALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9732382-B2 Photodamage mitigation compounds and systems PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2017-08-15 — — US disclosed
US-20150079603-A1 PHOTODAMAGE MITIGATION COMPOUNDS AND SYSTEMS PACIFIC BIOSCIENCES CALIFORNIA (US) 2015-03-19 — — US disclosed
US-8834847-B2 Photodamage mitigation compounds and systems PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2014-09-16 — — US disclosed
US-20120052488-A1 PHOTODAMAGE MITIGATION COMPOUNDS AND SYSTEMS PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2012-03-01 — — 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-20120052488-A1 PHOTODAMAGE MITIGATION COMPOUNDS AND SYSTEMS CRY1, ERCC1, ERCC4 PDE7A 4219/4885SMN1; SMN2 4416/4885MAPT 518/4885

“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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