SCHEMBL4972058

SCHEMBL4972058

COc1ccc(CC2Sc3ccccc3N(CCC(=O)O)C2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.49
LMNA P02545 4/20 0.47
CYP3A4 P08684 3/20 0.47
TSHR P16473 2/20 0.47
CACNA1S Q13698 2/20 0.47
ABCB11 O95342 2/20 0.47
KCNH2 Q12809 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HTT P42858 2/20 0.47
ALDH1A1 P00352 2/20 0.47
SLC22A1 O15245 1/20 0.47
CACNA1F O60840 1/20 0.47
ABCB1 P08183 1/20 0.47
HRH2 P25021 1/20 0.47
ADRA1A P35348 1/20 0.47
SCN1A P35498 1/20 0.47
SCN4A P35499 1/20 0.47
SCN7A Q01118 1/20 0.47
CACNA1D Q01668 1/20 0.47

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
SCHEMBL5796548 0.89 MCL1 (0.53) GSK3BLMNACYP3A4TSHRCACNA1S
Hydroxyamine SCHEMBL5793019 0.87 MCL1 (0.51) GSK3BLMNACYP3A4TSHRCACNA1S
SCHEMBL5746821 0.82 LMNA (0.53) LMNATSHRHTTHDAC3HDAC4
SCHEMBL5793022 0.82 PPARG (0.48) GSK3BLMNACYP3A4TSHRCACNA1S
SCHEMBL9035893 0.81 GSK3B (0.59) GSK3BLMNACYP3A4TSHRCACNA1S
SCHEMBL5797144 0.81 GSK3B (0.47) GSK3BLMNATSHRHTTTHRB
SCHEMBL5746099 0.80 GSK3B (0.46) GSK3BLMNACYP3A4TSHRCACNA1S
SCHEMBL8261190 0.80 CACNA1S (0.58) GSK3BLMNACYP3A4TSHRCACNA1S
SCHEMBL5746271 0.78 GSK3B (0.44) GSK3BLMNACYP3A4TSHRCACNA1S
SCHEMBL5747128 0.76 GSK3B (0.42) GSK3BMEN1KMT2AALDH1A1THRB

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
EP-1173427-B1 HYDROXAMIC ACID DERIVATIVE DAINIPPON SUMITOMO PHARMA CO (JP) 2006-04-05 EP disclosed
US-6713477-B1 1,4-BENZTHIAZINES OR BENZOXAZINES; MATRIX METALLOPROTEINASE INHIBITORS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-03-30 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 GSK3B 3902/4885LMNA 4136/4885CYP3A4 3089/4885

“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.