SCHEMBL4972145

SCHEMBL4972145

CC(C)c1cccc2c1OC(C(C)C)C(=S)N2CCC(=O)O

nearest known ligand 0.79

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
MME P08473 2/20 0.33
ACE P12821 2/20 0.33
NOTUM Q6P988 1/20 0.32
APEX1 P27695 1/20 0.32
OPRM1 P35372 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PKM P14618 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RAB9A P51151 1/20 0.32
MAPK1 P28482 1/20 0.32
HTR7 P34969 1/20 0.31
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
CTNNB1 P35222 1/20 0.31
TCF7L2 Q9NQB0 1/20 0.31

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
SCHEMBL4970660 0.93 EGFR (0.36) EGFRMEN1KMT2ANOTUMAPEX1
SCHEMBL29427697 0.88 KMT2A (0.33) EGFRMEN1KMT2ALMNAMME
SCHEMBL1219564 0.88 KMT2A (0.33) EGFRMEN1KMT2ALMNAMME
SCHEMBL4969187 0.88 KMT2A (0.33) EGFRMEN1KMT2ALMNAMME
SCHEMBL4972064 0.88 KMT2A (0.33) EGFRMEN1KMT2ALMNAMME
SCHEMBL4972236 0.88 RAB9A (0.38) MEN1KMT2ANOTUMALDH1A1SMN1; SMN2
SCHEMBL4972397 0.87 MME (0.40) MEN1KMT2ALMNAMMEACE
SCHEMBL10359733 0.84 MEN1 (0.32) EGFRMEN1KMT2AALDH1A1
SCHEMBL10359099 0.84 MEN1 (0.32) EGFRMEN1KMT2AALDH1A1
SCHEMBL4973363 0.84 RAB9A (0.39) MEN1KMT2ALMNAALDH1A1PKM

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 6 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 claimed
US-20070197512-A1 Carboxylic Acid Compounds and Use Thereof JAPAN TOBACCO INC. (JP) 2007-08-23 US claimed
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

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 EGFR 4284/4885MEN1 4288/4885KMT2A 1121/4885

“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.