SCHEMBL6153483

SCHEMBL6153483

[NH]C(=O)c1cc(Cl)ccc1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.67
CA2 P00918 1/20 0.67
P2RX1 P51575 6/20 0.55
KCNMA1 Q12791 2/20 0.55
TMPRSS4 Q9NRS4 3/20 0.53
P2RX4 Q99571 3/20 0.53
P2RX7 Q99572 3/20 0.53
MAPT P10636 2/20 0.50
HSD17B10 Q99714 2/20 0.50
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
USP2 O75604 1/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL6966672 0.82 CA1 (0.72) CA1CA2P2RX1KCNMA1TMPRSS4
SCHEMBL970982 0.80 ALDH1A1 (0.65) CA1CA2MAPTHSD17B10NPC1
5-Chlorosalicylic Acid SCHEMBL130605 0.80 CA1 (1.00) CA1CA2P2RX1KCNMA1TMPRSS4
5-Chlorosalicylic Acid SCHEMBL29499764 0.80 CA1 (1.00) CA1CA2P2RX1KCNMA1TMPRSS4
SCHEMBL29769239 0.80 CA1 (0.69) CA1CA2P2RX1KCNMA1TMPRSS4
SCHEMBL4955043 0.80 CA1 (0.69) CA1CA2P2RX1KCNMA1TMPRSS4
5-Chlorosalicylic Acid SCHEMBL11158036 0.78 CA1 (0.96) CA1CA2P2RX1KCNMA1TMPRSS4
SCHEMBL218964 0.78 CA1 (0.67) CA1CA2P2RX1KCNMA1TMPRSS4
5-Chlorosalicylic Acid SCHEMBL6855770 0.78 CA1 (0.96) CA1CA2P2RX1KCNMA1TMPRSS4
SCHEMBL6401690 0.78 CA1 (0.67) CA1CA2P2RX1KCNMA1TMPRSS4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2005-03-24 US disclosed
EP-1446110-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES Structural Bioinformatics Inc. (US) 2004-08-18 EP disclosed
WO-2003032916-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES STRUCTURAL BIOINFORMATICS INC. (US) 2003-04-24 WO disclosed
WO-2003007955-A2 BIPHENYL APURINIC/APYRIMIDINIC SITE ENDONUCLEASE INHIBITORS TO TREAT CANCER CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2003-01-30 WO disclosed
US-4663353-A Antibacterial fatty anilides THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1987-05-05 US 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-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases PTPRS, PTPRJ, PTPRCAP CA1 4519/4885CA2 3937/4885P2RX1 1880/4885

“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.