SCHEMBL4683271

SCHEMBL4683271

COC(=O)C(C)Cc1cccc(I)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.43
CTSB P07858 1/20 0.43
ALDH1A1 P00352 1/20 0.43
THRB P10828 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
FOLH1 Q04609 1/20 0.41
IDO1 P14902 2/20 0.41
SLC6A3 Q01959 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
OPRK1 P41145 2/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
F10 P00742 2/20 0.39
PRSS1 P07477 2/20 0.39
F2 P00734 1/20 0.39

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
SCHEMBL16578231 1.00 SLC7A5 (0.43) SLC7A5CTSBALDH1A1THRBCYP2C9
SCHEMBL14501406 0.86 PPARG (0.47) SLC7A5CTSBMEN1KMT2AFOLH1
SCHEMBL16574787 0.83 SLC7A5 (0.52) SLC7A5CTSBALDH1A1IDO1OPRK1
SCHEMBL2496147 0.83 NLRP3 (0.50) SLC7A5ALDH1A1THRBCYP2C9CYP2C19
SCHEMBL27810401 0.83 NLRP3 (0.50) SLC7A5ALDH1A1THRBCYP2C9CYP2C19
SCHEMBL6028187 0.83 TAAR1 (0.54) SLC7A5MEN1KMT2ASLC6A3LOXL2
SCHEMBL2500604 0.83 NLRP3 (0.50) SLC7A5ALDH1A1THRBCYP2C9CYP2C19
SCHEMBL8802162 0.83 ALDH1A1 (0.47) SLC7A5ALDH1A1THRBCYP2C9CYP2C19
SCHEMBL972579 0.82 PLA2G10 (0.47) CTSBCYP2C19FOLH1
SCHEMBL4679627 0.82 FOLH1 (0.48) SLC7A5CTSBMEN1KMT2AFOLH1

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-1386913-B1 PYRROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO (JP) 2008-07-16 EP disclosed
US-7220773-B2 Heterocylic amines used as antidiabetic or hyperglycemic agents DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-05-22 US disclosed
US-7220773-B2 Heterocylic amines used as antidiabetic or hyperglycemic agents DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-05-22 US disclosed
US-7220773-B2 Heterocylic amines used as antidiabetic or hyperglycemic agents DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-05-22 US disclosed
US-20040162331-A1 Pyrrole derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-08-19 US disclosed
EP-1386913-A1 PYRROLE DERIVATIVE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-02-04 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-20040162331-A1 Pyrrole derivative SLC5A1, GLP1R, SLC5A2 SLC7A5 1209/4885CTSB 3762/4885ALDH1A1 548/4885

“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.