SCHEMBL2152243

SCHEMBL2152243

CCS(=O)(=O)c1ccc(C(O)c2cccc3ccccc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 1/20 0.43
PSIP1 O75475 2/20 0.43
TSHR P16473 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
GAA P10253 1/20 0.41
ADRA2A P08913 2/20 0.40
ADRA2B P18089 2/20 0.40
ADRA2C P18825 2/20 0.40
ADRA1D P25100 2/20 0.40
ADRA1A P35348 2/20 0.40
ADRA1B P35368 2/20 0.40
ALDH1A1 P00352 1/20 0.40
ADRB3 P13945 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
SCHEMBL2152151 0.85 CA1 (0.43) KMT2ATSHRCA1CA2CA9
SCHEMBL10137032 0.77 ADRA2A (0.47) KMT2ATSHRGAAADRA2AADRA2B
SCHEMBL477543 0.76 LMNA (0.53) KMT2ATSHRGAAADRA2AADRA2B
SCHEMBL477696 0.76 LMNA (0.53) KMT2ATSHRGAAADRA2AADRA2B
SCHEMBL477685 0.76 LMNA (0.53) KMT2ATSHRGAAADRA2AADRA2B
SCHEMBL30986717 0.76 LMNA (0.53) KMT2ATSHRGAAADRA2AADRA2B
SCHEMBL2151973 0.75 KMT2A (0.46) KMT2ATSHRGAAADRA2AADRA2B
Acetic Acid SCHEMBL28094249 0.75 ALDH1A1 (0.53) KMT2AKDM4ETSHRGAAADRA2A
SCHEMBL6892426 0.75 OPRD1 (0.61) ALDH1A1
Dimethylamine SCHEMBL11569829 0.73 SLC6A4 (0.55) KMT2ATSHRGAAADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1692101-B1 MERCAPTO-PHENYL-NAPHTHYL-METHANE DERIVATIVES AND PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2011-07-06 EP claimed
US-7250446-B2 Mercaptophenyl naphthyl methane compounds and synthesis thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2007-07-31 US claimed
EP-1692101-A1 MERCAPTO-PHENYL-NAPHTHYL-METHANE DERIVATIVES AND PREPARATION THEREOF Council of Scientific and Industrial Research (IN) 2006-08-23 EP claimed
US-20040229869-A1 Novel mercaptophenyl naphthyl methane compounds and synthesis thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2004-11-18 US claimed
WO-2004087644-A1 MERCAPTO-PHENYL-NAPHTHYL-METHANE DERIVATIVES AND PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2004-10-14 WO claimed
EP-1692101-B1 MERCAPTO-PHENYL-NAPHTHYL-METHANE DERIVATIVES AND PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2011-07-06 EP disclosed
US-7582653-B2 Mercaptophenyl naphthyl methane compounds and synthesis thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2009-09-01 US disclosed
US-20070244161-A1 Novel mercaptophenyl naphthyl methane compounds and synthesis thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2007-10-18 US disclosed
US-7250446-B2 Mercaptophenyl naphthyl methane compounds and synthesis thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2007-07-31 US disclosed
EP-1692101-A1 MERCAPTO-PHENYL-NAPHTHYL-METHANE DERIVATIVES AND PREPARATION THEREOF Council of Scientific and Industrial Research (IN) 2006-08-23 EP disclosed
US-20040229869-A1 Novel mercaptophenyl naphthyl methane compounds and synthesis thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2004-11-18 US disclosed
WO-2004087644-A1 MERCAPTO-PHENYL-NAPHTHYL-METHANE DERIVATIVES AND PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2004-10-14 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 (2 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-20070244161-A1 Novel mercaptophenyl naphthyl methane compounds and synthesis thereof BRCA1, PGR, APC KMT2A 3928/4885KDM4E 2731/4885PSIP1 612/4885
US-20040229869-A1 Novel mercaptophenyl naphthyl methane compounds and synthesis thereof BRCA1, PGR, APC KMT2A 3928/4885KDM4E 2731/4885PSIP1 612/4885

“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.