SCHEMBL5961110

SCHEMBL5961110

Cc1c(O)c(Cl)cc(C(=O)O)c1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 10/20 0.59
AKR1C1 Q04828 10/20 0.59
AKR1C4 P17516 1/20 0.59
AKR1C3 P42330 1/20 0.59
ALDH1A1 P00352 4/20 0.52
HPGD P15428 3/20 0.52
HSD17B10 Q99714 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MAPT P10636 1/20 0.52
PKM P14618 1/20 0.52
HTT P42858 1/20 0.52
TTR P02766 2/20 0.48
HMGB1 P09429 1/20 0.44
CXCL12 P48061 1/20 0.44
GAA P10253 1/20 0.41
ALOX15 P16050 1/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL23823369 0.83 AKR1C2 (0.53) AKR1C2AKR1C1AKR1C4AKR1C3ALDH1A1
SCHEMBL2149302 0.82 AKR1C2 (0.52) AKR1C2AKR1C1AKR1C4AKR1C3ALDH1A1
SCHEMBL691741 0.82 AKR1C2 (0.52) AKR1C2AKR1C1AKR1C4AKR1C3ALDH1A1
SCHEMBL28030639 0.80 DPP4 (0.53) AKR1C2AKR1C1AKR1C4AKR1C3ALDH1A1
SCHEMBL27887946 0.80 TPMT (0.47) AKR1C2AKR1C1AKR1C4AKR1C3ALDH1A1
SCHEMBL11225434 0.79 AKR1C2 (0.64) AKR1C2AKR1C1AKR1C4AKR1C3ALDH1A1
SCHEMBL18677518 0.79 AKR1C2 (0.53) AKR1C2AKR1C1AKR1C4AKR1C3ALDH1A1
SCHEMBL1513825 0.78 AKR1C2 (0.63) AKR1C2AKR1C1AKR1C4AKR1C3ALDH1A1
SCHEMBL4126506 0.78 HMGB1 (0.57) AKR1C2AKR1C1AKR1C4AKR1C3ALDH1A1
SCHEMBL5318766 0.77 AKR1C2 (0.61) AKR1C2AKR1C1AKR1C4AKR1C3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10889552-B2 Dihydroxybenzamide compound having HSP90 inhibitory activity or pharmaceutically acceptable salt thereof, and medical use thereof ONCOZEN CO.. LTD. (KR) 2021-01-12 US disclosed
US-10464907-B2 Compound having HSP90 inhibitory activity or pharmaceutically acceptable salt thereof, and medical use thereof INDUSTRY ACADEMIC COOPERATION FOUNDATION KEIMYUNG UNIVERSITY (KR) 2019-11-05 US disclosed
US-20190031620-A1 NOVEL COMPOUND HAVING HSP90 INHIBITORY ACTIVITY OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND MEDICAL USE THEREOF INDUSTRY ACADEMIC COOPERATION FOUNDATION KEIMYUNG UNIVERSITY (KR) 2019-01-31 US disclosed
WO-2017051020-A1 DYE COMPOSITION COMPRISING A RESORCINOL-BASED COUPLER AND AN OXIDATION BASE L'OREAL (FR) 2017-03-30 WO disclosed
US-RE39088-E1 Amide compounds and use of the same JAPAN TOBACCO, INC. (JP) 2006-05-02 US disclosed
EP-0849256-B1 AMIDE COMPOUNDS AND USE OF THE SAME JAPAN TOBACCO INC (JP) 2005-06-08 EP disclosed
EP-1304322-A2 Carboxylic acid compound and use thereof Japan Tobacco Inc. (JP) 2003-04-23 EP disclosed
US-6420561-B1 Amide compounds and use thereof JAPAN TOBACCO INC. (JP) 2002-07-16 US disclosed
US-6174887-B1 Amide compounds and use of the same JAPAN TOBACCO INC. (JP) 2001-01-16 US disclosed
EP-0849256-A1 AMIDE COMPOUNDS AND USE OF THE SAME Japan Tobacco Inc. (JP) 1998-06-24 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 (3 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-10889552-B2 Dihydroxybenzamide compound having HSP90 inhibitory activity or pharmaceutically acceptable salt thereof, and medical use thereof HSP90AB1, HSP90AA1, HSP90AB2P AKR1C2 3577/4885AKR1C1 3767/4885AKR1C4 3922/4885
US-20190031620-A1 NOVEL COMPOUND HAVING HSP90 INHIBITORY ACTIVITY OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND MEDICAL USE THEREOF HSP90AA1, HSP90AB1, HSP90AB2P AKR1C2 3881/4885AKR1C1 3988/4885AKR1C4 4111/4885
US-10464907-B2 Compound having HSP90 inhibitory activity or pharmaceutically acceptable salt thereof, and medical use thereof HSP90AA1, HSP90AB1, HSP90AB2P AKR1C2 4026/4885AKR1C1 4110/4885AKR1C4 4157/4885

“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.