SCHEMBL5959489

SCHEMBL5959489

CSc1cccc(-c2ccc(C(=CCSc3ccc(OCC(=O)O)cc3)c3ccc(-c4cccc(SC)c4)cc3)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PPARD Q03181 10/20 0.50
▸ ALDH1A1 P00352 3/20 0.41
▸ HPGD P15428 3/20 0.41
▸ PPARG P37231 6/20 0.40
▸ LMNA P02545 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ PPARA Q07869 4/20 0.38
▸ PKM P14618 1/20 0.38
▸ FFAR1 O14842 2/20 0.37
▸ RXRA P19793 1/20 0.37
▸ RXRB P28702 1/20 0.37

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
SCHEMBL5959520 0.89 PPARD (0.53) PPARDALDH1A1HPGDPPARGLMNA
SCHEMBL5959429 0.89 PPARD (0.48) PPARDALDH1A1HPGDPPARGLMNA
SCHEMBL5959743 0.88 PPARD (0.53) PPARDALDH1A1PPARGLMNASMN1; SMN2
SCHEMBL5959692 0.88 PPARD (0.53) PPARDALDH1A1PPARGLMNASMN1; SMN2
SCHEMBL5959493 0.88 PPARD (0.50) PPARDALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL5959765 0.88 PPARD (0.50) PPARDALDH1A1HPGDPPARGLMNA
SCHEMBL5959605 0.87 PPARD (0.68) PPARDPPARGPPARA
SCHEMBL5959714 0.87 PPARD (0.53) PPARDPPARGLMNAMAPTFFAR1
SCHEMBL5959550 0.87 PPARD (0.48) PPARDALDH1A1HPGDPPARGLMNA
SCHEMBL5959430 0.86 PPARD (0.67) PPARDLMNAMAPTPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7091245-B2 Compounds, their preparation and use NOVO NOVDISK A/S (DK) 2006-08-15 — — US claimed
US-20040143006-A1 Novel compounds, their preparation and use HIGH POINT PHARMACEUTICALS, LLC 2004-07-22 — — US claimed
US-7091245-B2 Compounds, their preparation and use NOVO NOVDISK A/S (DK) 2006-08-15 — — US disclosed
EP-1537076-A1 NOVEL VINYL CARBOXYLIC ACID DERIVATIVES AND THEIR THERAPEUTICAL USE NOVO NORDISK A/S (DK) 2005-06-08 — — EP disclosed
US-20040143006-A1 Novel compounds, their preparation and use HIGH POINT PHARMACEUTICALS, LLC 2004-07-22 — — US disclosed
WO-2004022533-A1 NOVEL VINYL CARBOXYLIC ACID DERIVATIVES AND THEIR THERAPEUTICAL USE NOVO NORDISK A/S (DK) 2004-03-18 — — 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-20040143006-A1 Novel compounds, their preparation and use PPARG, PPARD, PPARA PPARD 2/4885ALDH1A1 722/4885HPGD 281/4885

“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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