SCHEMBL3414079

SCHEMBL3414079

CC(C)c1cccc(C(C)C)c1NC(=O)NC(Oc1ccccc1-c1ccccc1)C1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NMBR P28336 3/20 0.49
LPAR1 Q92633 1/20 0.45
EPHX2 P34913 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL3412535 0.86 NMBR (0.48) NMBRLPAR1EPHX2KMT2ALMNA
SCHEMBL3409553 0.80 ALDH1A1 (0.47) NMBRLPAR1KMT2AMEN1ALDH1A1
SCHEMBL3409677 0.79 NMBR (0.49) NMBREPHX2
SCHEMBL3414059 0.79 NMBR (0.47) NMBRKMT2AALDH1A1CYP3A4CYP2D6
SCHEMBL3407725 0.78 ALDH1A1 (0.48) NMBRLPAR1KMT2AALDH1A1CYP3A4
SCHEMBL3414001 0.78 NMBR (0.45) NMBRKMT2AMEN1ALDH1A1CYP3A4
SCHEMBL3408378 0.74 NMBR (0.47) NMBREPHX2KMT2AMEN1LMNA
SCHEMBL3410558 0.73 NMBR (0.48) NMBRKMT2AMEN1LMNA
SCHEMBL3414072 0.73 SOAT1 (0.48) LPAR1
SCHEMBL3412550 0.73 NMBR (0.43) NMBRLPAR1ALDH1A1CYP3A4CYP2D6

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
EP-2200979-B1 NOVEL DERIVATIVES OF PHENYLUREAS, INHIBITORS OF THE SOAT-1 ENZYME, PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING THEM GALDERMA RES & DEV (FR) 2012-12-12 EP claimed
US-8283378-B2 Phenylurea inhibitors of the SOAT-1 enzyme and pharmaceutical/cosmetic compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2012-10-09 US claimed
US-20100222431-A1 NOVEL PHENYLUREA INHIBITORS OF THE SOAT-1 ENZYME AND PHARMACEUTICAL/COSMETIC COMPOSITIONS COMPRISED THEREOF GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-09-02 US claimed
EP-2200979-B1 NOVEL DERIVATIVES OF PHENYLUREAS, INHIBITORS OF THE SOAT-1 ENZYME, PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING THEM GALDERMA RES & DEV (FR) 2012-12-12 EP disclosed
US-8283378-B2 Phenylurea inhibitors of the SOAT-1 enzyme and pharmaceutical/cosmetic compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2012-10-09 US disclosed
US-20100222431-A1 NOVEL PHENYLUREA INHIBITORS OF THE SOAT-1 ENZYME AND PHARMACEUTICAL/COSMETIC COMPOSITIONS COMPRISED THEREOF GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-09-02 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-20100222431-A1 NOVEL PHENYLUREA INHIBITORS OF THE SOAT-1 ENZYME AND PHARMACEUTICAL/COSMETIC COMPOSITIONS COMPRISED THEREOF SOAT1, SOAT2, ACAT2 NMBR 4779/4885LPAR1 4337/4885EPHX2 1380/4885

“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.