SCHEMBL3599873

SCHEMBL3599873

CCC(C)(C)C(=O)N(C(=O)N1CCc2ccc(CCC(=O)O)cc2C1)c1cc(C)c(O)c(C)c1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
GAA P10253 1/20 0.33
KDM4E B2RXH2 2/20 0.32
RIPK1 Q13546 1/20 0.32
S1PR1 P21453 1/20 0.32
ALOX15 P16050 1/20 0.32
CASP1 P29466 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NLRP3 Q96P20 1/20 0.32
FFAR1 O14842 1/20 0.32
NFE2L2 Q16236 2/20 0.32
NR1H2 P55055 1/20 0.32
ESR1 P03372 2/20 0.31
ESR2 Q92731 1/20 0.31
BCL2 P10415 2/20 0.31
MCL1 Q07820 1/20 0.31
BAD Q92934 1/20 0.31

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
SCHEMBL3598779 0.82 ALOX5 (0.34) KDM4ERIPK1MEN1KMT2ANFE2L2
SCHEMBL3599877 0.68 RORC (0.34) RIPK1
SCHEMBL31680205 0.66 ESR2 (0.65) S1PR1NR1H2ESR1ESR2HCRTR1
SCHEMBL19642974 0.66 ESR2 (0.65) S1PR1NR1H2ESR1ESR2HCRTR1
SCHEMBL30609175 0.63 FFAR1 (0.44) FFAR1ESR1ALDH1A1
SCHEMBL20509668 0.63 FFAR1 (0.44) FFAR1ESR1ALDH1A1
SCHEMBL8203535 0.62 NOTUM (0.56) PTPN2PTPN1NR1H2ESR1ESR2
SCHEMBL20680969 0.61 RXRA (0.57) ALOX15HSD17B10FFAR1ALDH1A1KEAP1
SCHEMBL30263704 0.61 RXRA (0.57) ALOX15HSD17B10FFAR1ALDH1A1KEAP1
SCHEMBL27306474 0.61 CYP1A2 (0.47) KDM4ERIPK1MEN1KMT2ANLRP3

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-20100022582-A1 Tetrahydroisoquinoline Compound and Medicinal Use Thereof KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2010-01-28 US disclosed
EP-1857444-A1 TETRAHYDROISOQUINOLINE COMPOUND AND MEDICINAL USE THEREOF Kyoto Pharmaceutical Industries, Ltd. (JP) 2007-11-21 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-20100022582-A1 Tetrahydroisoquinoline Compound and Medicinal Use Thereof ACAT1, ACAT2, LCAT PTPN2 1309/4885PTPN1 1728/4885GAA 364/4885

“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.