SCHEMBL5315809

SCHEMBL5315809

CC(C)CSc1cccc(C(=O)O)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.63
HSD17B10 Q99714 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2C9 P11712 1/20 0.58
HPGD P15428 1/20 0.58
MAP1LC3B Q9GZQ8 1/20 0.47
MAP1LC3A Q9H492 1/20 0.47
FOLH1 Q04609 2/20 0.47
MTNR1A P48039 6/20 0.44
MTNR1B P49286 6/20 0.44
LTB4R Q15722 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA6 P23280 1/20 0.43
CA9 Q16790 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL5316347 0.85 PARP1 (0.47) APEX1HSD17B10CYP1A2CYP2C9HPGD
SCHEMBL17048425 0.83 MTNR1A (0.49) APEX1HPGDMAP1LC3BMAP1LC3AMTNR1A
SCHEMBL6477946 0.81 APEX1 (0.56) APEX1HSD17B10CYP1A2CYP2C9HPGD
SCHEMBL1991282 0.81 APEX1 (0.69) APEX1HSD17B10CYP1A2CYP2C9HPGD
SCHEMBL6487970 0.79 HTT (0.50) HPGDMTNR1AMTNR1BCA12CA1
SCHEMBL6489046 0.78 APEX1 (0.65) APEX1HSD17B10CYP1A2CYP2C9HPGD
SCHEMBL670993 0.78 APEX1 (0.75) APEX1HSD17B10CYP1A2CYP2C9HPGD
SCHEMBL6478478 0.77 HSD17B10 (0.63) APEX1HSD17B10CYP1A2CYP2C9HPGD
SCHEMBL5445177 0.77 APEX1 (1.00) APEX1HSD17B10CYP1A2CYP2C9HPGD
SCHEMBL6477315 0.77 APEX1 (0.63) APEX1HSD17B10CYP1A2CYP2C9HPGD

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007064869-A2 CATALYSTS FOR ARYL SULFIDE SYNTHESIS AND METHOD OF PRODUCING ARYL SULFIDES YALE UNIVERSITY (US) 2007-06-07 WO disclosed
US-6887863-B2 Hydrazide and alkoxyamide angiogenesis inhibitors ABBOTT LABORATORIES (US) 2005-05-03 US disclosed
EP-1272456-B1 HYDRAZIDE AND ALKOXYAMIDE ANGIOGENESIS INHIBITORS ABBOTT LAB (US) 2004-10-27 EP disclosed
US-20040167126-A1 Hydrazide and alkoxyamide angiogenesis inhibitors ABBVIE INC. 2004-08-26 US disclosed
EP-1272456-A1 HYDRAZIDE AND ALKOXYAMIDE ANGIOGENESIS INHIBITORS Abbott Laboratories (US) 2003-01-08 EP disclosed
US-20020002152-A1 Hydrazide and alkoxyamide angiogenesis inhibitors ABBOTT LABORATORIES 2002-01-03 US disclosed
WO-2001079157-A1 HYDRAZIDE AND ALKOXYAMIDE ANGIOGENESIS INHIBITORS ABBOTT LABORATORIES (US) 2001-10-25 WO 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 (2 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-20040167126-A1 Hydrazide and alkoxyamide angiogenesis inhibitors METAP2, METAP1, ANPEP APEX1 1768/4885HSD17B10 1675/4885CYP1A2 1673/4885
US-20020002152-A1 Hydrazide and alkoxyamide angiogenesis inhibitors METAP2, METAP1, ANPEP APEX1 1768/4885HSD17B10 1675/4885CYP1A2 1673/4885

“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.