SCHEMBL10024451

SCHEMBL10024451

CC(CSc1ccccc1[N+](=O)[O-])C(O)CS

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE7A Q13946 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ SLC6A2 P23975 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ MAPT P10636 4/20 0.39
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ GAA P10253 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ ALPG P10696 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ CRBN Q96SW2 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.37
▸ GSTP1 P09211 1/20 0.36
▸ GSTM2 P28161 1/20 0.36
▸ HPGD P15428 1/20 0.36

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
SCHEMBL10024498 0.89 PDE7A (0.42) PDE7ASMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL11294731 0.84 PDE7A (0.45) PDE7ASMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL3798822 0.81 PDE7A (0.47) PDE7ASMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL10024479 0.80 APEX1 (0.60) ALDH1A1LMNA
SCHEMBL16062750 0.74 HPD (0.30) —
SCHEMBL10970030 0.74 MAPT (0.49) PDE7ASMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL11202237 0.72 PDE7A (0.49) PDE7ASMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL11292807 0.72 MAPT (0.49) SLC6A2SLC6A4SLC6A3ALDH1A1MAPT
SCHEMBL11297209 0.72 MAPT (0.49) SLC6A2SLC6A4SLC6A3ALDH1A1MAPT
SCHEMBL3386571 0.72 MEN1 (0.53) PDE7ASMN1; SMN2SLC6A2SLC6A4SLC6A3

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 4416/4885SLC6A2 3894/4885

“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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