SCHEMBL1242819

SCHEMBL1242819

CCN(CC)CCCNS(=O)(=O)c1ccc2c(c1)C(OC(=O)C(=O)ON(CCCN(CC)CC)S(=O)(=O)c1ccc3c(c1)CN(Cc1ccccc1)CC3)N(Cc1ccccc1)CC2

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
BCL2 P10415 2/20 0.38
MCL1 Q07820 1/20 0.38
BAD Q92934 1/20 0.38
LMNA P02545 3/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 2/20 0.37
HTR7 P34969 6/20 0.36
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
GFER P55789 1/20 0.35
TP53 P04637 1/20 0.34

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
Oxalic Acid SCHEMBL1242817 0.82 ALDH1A1 (0.53) ALDH1A1TSHRSMN1; SMN2BCL2MCL1
SCHEMBL1242833 0.82 ALDH1A1 (0.52) ALDH1A1TSHRSMN1; SMN2BCL2MCL1
SCHEMBL1243397 0.73 HTR7 (0.43) ALDH1A1TSHRSMN1; SMN2HTR7KDM4E
SCHEMBL1241174 0.73 TSHR (0.36) ALDH1A1TSHRBCL2HTR7HTT
SCHEMBL1243667 0.71 HTR7 (0.46) ALDH1A1LMNAMAPK1HTR7KDM4E
SCHEMBL1243531 0.71 MLNR (0.50) ALDH1A1TSHRLMNAKMT2AHTR7
SCHEMBL1243510 0.69 HRH3 (0.46) ALDH1A1LMNAHTR7KDM4EGAA
SCHEMBL1244033 0.68 USP2 (0.52) ALDH1A1TSHRLMNAKMT2AHTR7
SCHEMBL1244022 0.65 USP2 (0.48) ALDH1A1SMN1; SMN2LMNAKMT2AHTR7
SCHEMBL1242876 0.64 MLNR (0.46) ALDH1A1TSHRLMNAMAPK1HTR7

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
US-8524700-B2 Tetrahydroisoquinoline sulfonamide derivatives, the preparation thereof, and the use of the same in therapeutics SANOFI (FR) 2013-09-03 US disclosed
US-20120323003-A1 TETRAHYDROISOQUINOLINE SULFONAMIDE DERIVATIVES, THE PREPARATION THEREOF, AND THE USE OF THE SAME IN THERAPEUTICS SANOFI (FR) 2012-12-20 US disclosed
US-8273733-B2 Tetrahydroisoquinoline sulfonamide derivatives, the preparation thereof, and the use of the same in therapeutics SANOFI (FR) 2012-09-25 US disclosed
US-20110028475-A1 TETRAHYDROISOQUINOLINE SULFONAMIDE DERIVATIVES, THE PREPARATION THEREOF, AND THE USE OF THE SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2011-02-03 US disclosed
US-7833999-B2 Tetrahydroisoquinoline sulfonamide derivatives, the preparation thereof, and the use of the same in therapeutics SANOFI-AVENTIS (FR) 2010-11-16 US disclosed
US-20070105834-A1 TETRAHYDROISOQUINOLINE SULFONAMIDE DERIVATIVES, THE PREPARATION THEREOF, AND THE USE OF THE SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2007-05-10 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 (3 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-20120323003-A1 TETRAHYDROISOQUINOLINE SULFONAMIDE DERIVATIVES, THE PREPARATION THEREOF, AND THE USE OF THE SAME IN THERAPEUTICS BACE1, HTR2B, KCNQ2 ALDH1A1 910/4885TSHR 1961/4885SMN1; SMN2 45/4885
US-20070105834-A1 TETRAHYDROISOQUINOLINE SULFONAMIDE DERIVATIVES, THE PREPARATION THEREOF, AND THE USE OF THE SAME IN THERAPEUTICS BACE1, SLC6A2, KCNQ2 ALDH1A1 697/4885TSHR 2053/4885SMN1; SMN2 35/4885
US-20110028475-A1 TETRAHYDROISOQUINOLINE SULFONAMIDE DERIVATIVES, THE PREPARATION THEREOF, AND THE USE OF THE SAME IN THERAPEUTICS BACE1, HTR2B, KCNQ2 ALDH1A1 910/4885TSHR 1961/4885SMN1; SMN2 45/4885

“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.