SCHEMBL608026

SCHEMBL608026

O=C(CCCCC(S)CCS)Oc1ccc2c(c1)OCO2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.48
▸ MAPT P10636 3/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ LMNA P02545 4/20 0.43
▸ GAA P10253 1/20 0.43
▸ KMT2A Q03164 5/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ ALOX15 P16050 3/20 0.41
▸ POLB P06746 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ ALDH1A1 P00352 5/20 0.40
▸ RAB9A P51151 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ PKM P14618 1/20 0.39
▸ HPGD P15428 4/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ FKBP1A P62942 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ APEX1 P27695 1/20 0.38

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
SCHEMBL10036506 0.80 MAOB (0.54) TSHRMAPTKMT2APOLBRAB9A
SCHEMBL28564924 0.79 MAPT (0.55) TSHRMAPTNPSR1LMNAGAA
SCHEMBL15487116 0.78 MAPT (0.54) TSHRMAPTNPSR1LMNAGAA
SCHEMBL28557828 0.78 MAPT (0.54) TSHRMAPTNPSR1LMNAGAA
SCHEMBL15034446 0.77 KDM4E (0.37) TSHRNPSR1LMNAGAAKMT2A
SCHEMBL8282265 0.74 MAPT (0.58) TSHRMAPTNPSR1LMNAGAA
SCHEMBL28490944 0.73 MAOB (0.64) TSHRMAPTNPSR1LMNAKMT2A
SCHEMBL28564398 0.73 TSHR (0.61) TSHRMAPTNPSR1LMNAGAA
SCHEMBL28363239 0.72 LMNA (0.56) TSHRMAPTNPSR1LMNAGAA
SCHEMBL3209390 0.72 ACHE (0.52) TSHRMAPTNPSR1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2539317-A2 DIHYDROLIPOIC ACID DERIVATIVES COMPRISING NITRIC OXIDE AND THERAPEUTIC USES THEREOF Invasc Therapeutics, Inc. (US) 2013-01-02 — — EP disclosed
US-20120041025-A1 Dihydrolipoic Acid Derivatives Comprising Nitric Oxide and Therapeutic Uses Thereof CARMEL BIOSCIENCES, INC. 2012-02-16 — — US disclosed
WO-2010096677-A2 DIHYDROLIPOIC ACID DERIVATIVES COMPRISING NITRIC OXIDE AND THERAPEUTIC USES THEREOF INVASC THERAPEUTICS, INC. (US) 2010-08-26 — — 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-20120041025-A1 Dihydrolipoic Acid Derivatives Comprising Nitric Oxide and Therapeutic Uses Thereof DLD, LDLR, ALOX15 TSHR 4101/4885MAPT 3552/4885NPSR1 823/4885

“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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