SCHEMBL6153551

SCHEMBL6153551

CC(C)(C)c1ccc(CNc2ccc(Br)c(Cl)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
TRPV1 Q8NER1 1/20 0.46
MAPT P10636 2/20 0.41
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
PTK2 Q05397 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CA12 O43570 1/20 0.39
CA7 P43166 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
SCHEMBL1242177 0.80 CA1 (0.50) CA1CA2TRPV1MAPTMEN1
SCHEMBL6155506 0.80 MEN1 (0.57) CA1CA2MAPTMEN1KMT2A
SCHEMBL5184746 0.79 CA1 (0.70) CA1CA2TRPV1MAPTMEN1
SCHEMBL30301291 0.78 CA1 (0.60) CA1CA2TRPV1MAPTMEN1
SCHEMBL13581155 0.78 AGER (0.61) CA1CA2TRPV1MAPTMEN1
Hydrochloric Acid SCHEMBL9458378 0.76 CA1 (0.59) CA1CA2TRPV1MAPTMEN1
SCHEMBL6690731 0.76 CA1 (0.54) CA1CA2TRPV1MEN1KMT2A
SCHEMBL1241624 0.76 MEN1 (0.42) CA1CA2MAPTMEN1KMT2A
SCHEMBL1241386 0.76 CA1 (0.48) CA1CA2TRPV1MEN1KMT2A
SCHEMBL1241632 0.73 MEN1 (0.40) CA1CA2MAPTMEN1KMT2A

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 3 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

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 3937/4885TRPV1 3569/4885

“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.