SCHEMBL7040746

SCHEMBL7040746

O=C(Nc1ccc(OCCSc2ccccn2)cc1C(=O)O)c1ccc(Cl)cc1Cl

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.64
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
LMNA P02545 1/20 0.59
PPARA Q07869 4/20 0.58
SERPINE1 P05121 1/20 0.45
HPGD P15428 1/20 0.44
TP53 P04637 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 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
SCHEMBL7037688 0.99 PPARG (0.63) PPARGNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL7033057 0.91 PPARG (0.61) PPARGNPC1RAB9ASMN1; SMN2LMNA
Lithium Ion SCHEMBL7037684 0.91 PPARG (0.76) PPARGNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL7040905 0.89 PPARG (0.63) PPARGNPC1RAB9APPARASERPINE1
SCHEMBL7038701 0.88 PPARG (0.62) PPARGNPC1RAB9APPARASERPINE1
SCHEMBL7035737 0.86 PPARG (0.83) PPARGNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL7036036 0.85 PPARG (0.81) PPARGNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL7041258 0.83 PPARG (0.71) PPARGNPC1RAB9ALMNAPPARA
SCHEMBL7038431 0.83 PPARG (0.81) PPARGNPC1RAB9ASMN1; SMN2PPARA
SCHEMBL7040287 0.82 PPARG (0.70) PPARGNPC1RAB9ALMNAPPARA

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-20030073862-A1 Compounds BIOVITRUM AB (SE) 2003-04-17 US claimed
WO-2003004458-A1 NEW COMPOUNDS BIOVITRUM AB (SE) 2003-01-16 WO claimed
US-20030073862-A1 Compounds BIOVITRUM AB (SE) 2003-04-17 US disclosed
WO-2003004458-A1 NEW COMPOUNDS BIOVITRUM AB (SE) 2003-01-16 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-20030073862-A1 Compounds PPARG, PPARA, PPARD PPARG 1/4885NPC1 1392/4885RAB9A 2646/4885

“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.