SCHEMBL15340491

SCHEMBL15340491

Cc1ccccc1C(=O)Oc1ccccc1C(=O)NCCS(C)(=O)=O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ HCRTR1 O43613 2/20 0.47
▸ KMT2A Q03164 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ ESR1 P03372 1/20 0.46
▸ ESR2 Q92731 1/20 0.46
▸ PKM P14618 1/20 0.44
▸ HPGD P15428 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HTT P42858 1/20 0.43

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
SCHEMBL5678619 0.85 HPGD (0.57) NPC1RAB9AKMT2AMEN1HPGD
SCHEMBL15340453 0.84 HCRTR1 (0.51) NPC1RAB9AHCRTR1KMT2AMEN1
SCHEMBL12608929 0.76 ALDH1A1 (0.54) NPC1RAB9AHCRTR1KMT2AMEN1
SCHEMBL8431592 0.74 KMT2A (0.68) NPC1RAB9AKMT2AMEN1ESR1
SCHEMBL15340454 0.74 NAAA (0.59) NPC1KMT2AMEN1HPGDSMN1; SMN2
SCHEMBL30569764 0.74 KMT2A (0.54) KMT2APKMHPGDSMN1; SMN2ALDH1A1
SCHEMBL29067146 0.74 KMT2A (0.54) KMT2APKMHPGDSMN1; SMN2ALDH1A1
SCHEMBL15344057 0.74 HCRTR1 (0.52) HCRTR1KMT2AMEN1ESR1HPGD
SCHEMBL10457215 0.73 KMT2A (0.66) NPC1RAB9AKMT2AMEN1ESR1
SCHEMBL29067151 0.73 TSHR (0.50) HCRTR1PKMHPGDSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130281520-A1 Anti-Inflammatory And Antioxidant Conjugates Useful For Treating Metabolic Disorders GENMEDICA THERAPEUTICS SL (ES) 2013-10-24 — — 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-20130281520-A1 Anti-Inflammatory And Antioxidant Conjugates Useful For Treating Metabolic Disorders HSD17B14, SORD, GPX4 NPC1 2779/4885RAB9A 4360/4885HCRTR1 2977/4885

“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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