SCHEMBL4876690

SCHEMBL4876690

COc1cccc(C2(C(=O)O)CCN(c3ccccc3)CC2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 3/20 0.54
NPY1R P25929 1/20 0.52
FFAR4 Q5NUL3 1/20 0.52
KMT2A Q03164 3/20 0.50
CYP3A4 P08684 2/20 0.50
TP53 P04637 2/20 0.50
MAPT P10636 2/20 0.50
USP2 O75604 2/20 0.50
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
OPRM1 P35372 1/20 0.48
OPRD1 P41143 1/20 0.48
OPRK1 P41145 1/20 0.48
OPRL1 P41146 1/20 0.48
DRD4 P21917 1/20 0.47
MAPK1 P28482 2/20 0.47
MEN1 O00255 1/20 0.47
CYP2C19 P33261 1/20 0.47
TSHR P16473 2/20 0.47
HSD17B10 Q99714 2/20 0.47

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
SCHEMBL4876722 0.91 SOAT1 (0.56) SOAT1NPY1RFFAR4KMT2ACYP3A4
SCHEMBL4873768 0.85 SOAT1 (0.55) SOAT1KMT2AMAPTALDH1A1DRD4
SCHEMBL4880541 0.85 SOAT1 (0.48) SOAT1NPY1RFFAR4KMT2ACYP3A4
SCHEMBL1465003 0.85 KMT2A (0.50) KMT2AALDH1A1OPRM1OPRD1OPRK1
SCHEMBL4880538 0.84 SOAT1 (0.50) SOAT1NPY1RFFAR4KMT2ACYP3A4
SCHEMBL4877181 0.84 ALDH1A1 (0.56) KMT2ACYP3A4TP53MAPTUSP2
SCHEMBL4877793 0.82 OPRM1 (0.72) KMT2ACYP3A4MAPTUSP2ALDH1A1
SCHEMBL7467608 0.82 AKR1C1 (0.59) KMT2AALDH1A1OPRM1OPRD1MEN1
SCHEMBL521247 0.82 AKR1C1 (0.54) KMT2AALDH1A1OPRM1OPRD1OPRK1
SCHEMBL4878235 0.82 SOAT1 (0.52) SOAT1KMT2AMAPTALDH1A1DRD4

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-20080096922-A1 Novel Sulfonamide derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-04-24 US disclosed
EP-1736467-A1 NOVEL SULFONAMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-12-27 EP 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-20080096922-A1 Novel Sulfonamide derivative NR4A1, NR4A2, NR4A3 SOAT1 502/4885NPY1R 338/4885FFAR4 11/4885

“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.