SCHEMBL10055062

SCHEMBL10055062

O=[N+]([O-])c1c(COO)cccc1SCC(O)C(O)CS

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.32
▸ ADAM17 P78536 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ MGMT P16455 1/20 0.30

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
SCHEMBL16063177 0.79 MAPT (0.41) MAPTADAM17KMT2AATM
SCHEMBL10024498 0.74 PDE7A (0.42) MAPTADAM17KMT2AATM
SCHEMBL16062750 0.69 HPD (0.30) —
SCHEMBL10024485 0.65 TSHR (0.43) MAPTADAM17KMT2AATM
SCHEMBL10024451 0.64 PDE7A (0.40) MAPTKMT2A
SCHEMBL10024450 0.63 TSHR (0.46) MAPTADAM17KMT2AATM
SCHEMBL10024500 0.63 TP53 (0.43) MAPTKMT2A
SCHEMBL8106323 0.62 KMT2A (0.37) MAPTKMT2AMGMT
SCHEMBL28339719 0.60 ALDH1A1 (0.58) KMT2A
SCHEMBL13479393 0.60 GPR35 (0.60) MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120052488-A1 PHOTODAMAGE MITIGATION COMPOUNDS AND SYSTEMS PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2012-03-01 — — US disclosed
WO-2012021733-A2 PHOTODAMAGE MITIGATION COMPOUNDS AND SYSTEMS PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2012-02-16 — — 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-20120052488-A1 PHOTODAMAGE MITIGATION COMPOUNDS AND SYSTEMS CRY1, ERCC1, ERCC4 MAPT 518/4885ADAM17 3274/4885KMT2A 2469/4885

“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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