SCHEMBL10265197

SCHEMBL10265197

O=C(Nc1ccc2c(c1)CC(NS(=O)(=O)c1ccccc1)C2)c1ccccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ APOB P04114 19/20 1.00
▸ MTTP P55157 18/20 1.00
▸ SMO Q99835 1/20 0.63

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
SCHEMBL13591653 0.94 APOB (0.88) APOBMTTPSMO
SCHEMBL13591642 0.88 APOB (0.87) APOBMTTPSMO
SCHEMBL13591630 0.86 APOB (0.79) APOBMTTPSMO
SCHEMBL14466458 0.83 APOB (0.71) APOBMTTPSMO
SCHEMBL7760803 0.83 APOB (0.76) APOBMTTPSMO
SCHEMBL7760794 0.83 APOB (0.76) APOBMTTPSMO
SCHEMBL10205349 0.83 MTTP (1.00) APOBMTTPSMO
SCHEMBL7764352 0.81 APOB (1.00) APOBMTTPSMO
SCHEMBL7764346 0.81 APOB (1.00) APOBMTTPSMO
SCHEMBL13591588 0.81 APOB (0.83) APOBMTTPSMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101774-B2 Ester derivatives and medicinal use thereof JAPAN TOBACCO INC. (JP) 2012-01-24 — — US disclosed
US-20100158996-A1 ESTER COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. 2010-06-24 — — US disclosed
US-20090306149-A1 USE OF BIARYLCARBOXAMIES IN THE TREATMENT OF HEDGEHOG PATHWAY-RELATED DISORDERS NOVARTIS AG (CH) 2009-12-10 — — US disclosed
US-20090306149-A1 USE OF BIARYLCARBOXAMIES IN THE TREATMENT OF HEDGEHOG PATHWAY-RELATED DISORDERS NOVARTIS AG (CH) 2009-12-10 — — US disclosed
US-7625948-B2 Ester compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2009-12-01 — — US disclosed
US-7625948-B2 Ester compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2009-12-01 — — US disclosed
US-7432392-B2 Ester derivatives and medical use thereof JAPAN TOBACCO INC. (JP) 2008-10-07 — — 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 (2 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-20090306149-A1 USE OF BIARYLCARBOXAMIES IN THE TREATMENT OF HEDGEHOG PATHWAY-RELATED DISORDERS GLI1, SHH, GLI2 APOB 4403/4885MTTP 3269/4885SMO 4/4885
US-20100158996-A1 ESTER COMPOUND AND MEDICAL USE THEREOF LIPC, CES1, MTTP APOB 44/4885MTTP 3/4885SMO 3405/4885

“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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