SCHEMBL13591658

SCHEMBL13591658

O=C(Nc1ccc2c(c1)CCC(NS(=O)(=O)c1ccccc1F)CC2)c1ccccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ APOB P04114 16/20 0.67
▸ MTTP P55157 15/20 0.67
▸ SMO Q99835 1/20 0.53
▸ KDM4E B2RXH2 2/20 0.49
▸ LMNA P02545 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ TP53 P04637 1/20 0.48

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
SCHEMBL13591660 0.88 MTTP (0.78) APOBMTTPSMO
SCHEMBL10265197 0.80 APOB (1.00) APOBMTTPSMO
SCHEMBL13591653 0.80 APOB (0.88) APOBMTTPSMO
SCHEMBL13591630 0.78 APOB (0.79) APOBMTTPSMO
SCHEMBL7760803 0.75 APOB (0.76) APOBMTTPSMO
SCHEMBL7760794 0.75 APOB (0.76) APOBMTTPSMO
SCHEMBL13591657 0.75 MTTP (1.00) APOBMTTPSMO
SCHEMBL8208303 0.74 APOB (0.62) APOBMTTPSMOKDM4ELMNA
SCHEMBL13591659 0.74 MTTP (1.00) APOBMTTPSMO
SCHEMBL7761722 0.73 APOB (0.76) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20090306149-A1 USE OF BIARYLCARBOXAMIES IN THE TREATMENT OF HEDGEHOG PATHWAY-RELATED DISORDERS GLI1, SHH, GLI2 APOB 4403/4885MTTP 3269/4885SMO 4/4885

“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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