SCHEMBL10024450

SCHEMBL10024450

O=C(O)c1cccc([N+](=O)[O-])c1SCC(O)C(O)CS

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.46
▸ MAPT P10636 5/20 0.40
▸ ALDH1A1 P00352 5/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ LMNA P02545 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ CTSD P07339 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ DNA2 P51530 1/20 0.36
▸ CASP6 P55212 1/20 0.36
▸ CTDSP1 Q9GZU7 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ DTYMK P23919 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ADAM17 P78536 1/20 0.35

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
SCHEMBL16062760 0.84 TSHR (0.47) TSHRMAPTALDH1A1KMT2AMEN1
SCHEMBL10024485 0.82 TSHR (0.43) TSHRMAPTALDH1A1KMT2AMEN1
SCHEMBL16063177 0.81 MAPT (0.41) TSHRMAPTALDH1A1KMT2AMEN1
SCHEMBL10024457 0.79 TSHR (0.48) TSHRMAPTALDH1A1KMT2AMEN1
SCHEMBL10024498 0.76 PDE7A (0.42) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL9657224 0.76 TSHR (0.53) TSHRMAPTALDH1A1KMT2AMEN1
SCHEMBL21802325 0.75 TSHR (0.58) TSHRMAPTALDH1A1KMT2AMEN1
SCHEMBL9087640 0.75 TSHR (0.51) TSHRMAPTALDH1A1KMT2AMEN1
SCHEMBL2213952 0.75 TSHR (0.62) TSHRMAPTALDH1A1KMT2AMEN1
SCHEMBL10024482 0.73 TSHR (0.50) TSHRMAPTALDH1A1KMT2AMEN1

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 8 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-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-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-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
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 TSHR 3233/4885MAPT 518/4885ALDH1A1 814/4885

“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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