SCHEMBL4972064

SCHEMBL4972064

CC(C)c1cccc2c1O[C@H](C(C)C)C(=S)N2CC(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
BRD4 O60885 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALOX15 P16050 2/20 0.32
HSD17B10 Q99714 1/20 0.32
LMNA P02545 1/20 0.32
MME P08473 3/20 0.31
ACE P12821 3/20 0.31
NOTUM Q6P988 1/20 0.31
EGFR P00533 1/20 0.31
PTGES O14684 1/20 0.31
APEX1 P27695 1/20 0.31
HTR7 P34969 1/20 0.30

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
SCHEMBL4969187 1.00 KMT2A (0.33) KMT2AMEN1BRD4TDP1ALOX15
SCHEMBL29427697 1.00 KMT2A (0.33) KMT2AMEN1BRD4TDP1ALOX15
SCHEMBL1219564 1.00 KMT2A (0.33) KMT2AMEN1BRD4TDP1ALOX15
SCHEMBL4972145 0.88 EGFR (0.37) KMT2AMEN1LMNAMMEACE
SCHEMBL10359001 0.87 POLB (0.38) KMT2AMEN1TDP1ALOX15HSD17B10
SCHEMBL10359000 0.87 POLB (0.38) KMT2AMEN1TDP1ALOX15HSD17B10
SCHEMBL1201887 0.87 BRD4 (0.43) KMT2AMEN1BRD4ALOX15HSD17B10
SCHEMBL10359065 0.87 BRD4 (0.34) KMT2AMEN1BRD4ALOX15HSD17B10
SCHEMBL4970660 0.86 EGFR (0.36) KMT2AMEN1TDP1NOTUMEGFR
SCHEMBL10359099 0.86 MEN1 (0.32) KMT2AMEN1EGFR

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
EP-1985297-A1 CARBOXYLIC ACID COMPOUND AND USE THEREOF Japan Tobacco, Inc. (JP) 2008-10-29 EP disclosed
US-20070197512-A1 Carboxylic Acid Compounds and Use Thereof JAPAN TOBACCO INC. (JP) 2007-08-23 US disclosed
US-20070197512-A1 Carboxylic Acid Compounds and Use Thereof JAPAN TOBACCO INC. (JP) 2007-08-23 US disclosed
US-20070197512-A1 Carboxylic Acid Compounds and Use Thereof JAPAN TOBACCO INC. (JP) 2007-08-23 US disclosed
EP-0243018-B1 THIOLACTAM-N-ACETIC ACID DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1990-10-24 EP disclosed
US-4771050-A ALDOSE REDUCTASE INHIBITOR, ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-09-13 US disclosed
EP-0243018-A1 Thiolactam-N-acetic acid derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1987-10-28 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-20070197512-A1 Carboxylic Acid Compounds and Use Thereof GLS, SLC10A1, SOAT1 KMT2A 1121/4885MEN1 4288/4885BRD4 3303/4885

“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.