SCHEMBL10024485

SCHEMBL10024485

Cc1cccc([N+](=O)[O-])c1SCC(O)C(O)CS

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ HSD17B10 Q99714 1/20 0.41
▸ TDP1 Q9NUW8 3/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ SCN4A P35499 4/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ GPR35 Q9HC97 1/20 0.36
▸ CRHBP P24387 1/20 0.36
▸ CRHR2 Q13324 1/20 0.36
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ ADAM17 P78536 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ KCNMA1 Q12791 1/20 0.34

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
SCHEMBL10024450 0.82 TSHR (0.46) TSHRSMN1; SMN2TDP1L3MBTL1ALDH1A1
SCHEMBL10024498 0.78 PDE7A (0.42) SMN1; SMN2TDP1L3MBTL1ALDH1A1GPR35
SCHEMBL30908664 0.71 MEN1 (0.54) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL10024451 0.70 PDE7A (0.40) SMN1; SMN2HSD17B10TDP1L3MBTL1ALDH1A1
SCHEMBL699870 0.70 TSHR (0.60) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL28482559 0.69 HSD17B10 (0.58) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL11920168 0.68 TSHR (0.53) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL21445761 0.68 TDP1 (0.58) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL16063177 0.68 MAPT (0.41) TSHRALDH1A1KMT2AMEN1RAB9A
SCHEMBL16062760 0.68 TSHR (0.47) TSHRSMN1; SMN2TDP1L3MBTL1ALDH1A1

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 TSHR 3233/4885SMN1; SMN2 4416/4885HSD17B10 2648/4885

“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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