SCHEMBL1908607

SCHEMBL1908607

CC(=O)N1CCCc2cc(S(=O)(=O)Cl)ccc21

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.70
ALDH1A1 P00352 9/20 0.65
LMNA P02545 7/20 0.65
TSHR P16473 2/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
SMN1; SMN2 Q16637 3/20 0.62
PKM P14618 2/20 0.61
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
HTT P42858 1/20 0.60
HPGD P15428 1/20 0.60
MAPK1 P28482 1/20 0.60
MAPT P10636 1/20 0.60
POLB P06746 1/20 0.58

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
SCHEMBL29737158 0.92 NOTUM (0.64) TP53ALDH1A1LMNASMN1; SMN2PKM
SCHEMBL1021359 0.92 NOTUM (0.64) TP53ALDH1A1LMNASMN1; SMN2PKM
SCHEMBL1908587 0.89 TDP1 (0.58) TP53ALDH1A1LMNATSHRL3MBTL1
SCHEMBL27559350 0.86 TP53 (0.70) TP53ALDH1A1LMNATSHRL3MBTL1
SCHEMBL2289614 0.83 SMN1; SMN2 (0.57) TP53ALDH1A1LMNATSHRL3MBTL1
SCHEMBL2227782 0.83 CA1 (0.65) TP53ALDH1A1LMNATSHRL3MBTL1
SCHEMBL4808175 0.81 NOTUM (0.67) TP53ALDH1A1LMNASMN1; SMN2PKM
SCHEMBL1807646 0.80 ALDH1A1 (0.64) ALDH1A1LMNASMN1; SMN2PKMMEN1
SCHEMBL21832028 0.80 NOTUM (0.59) TP53ALDH1A1LMNATSHRL3MBTL1
SCHEMBL3127789 0.80 ALDH1A1 (0.55) TP53ALDH1A1LMNATSHRL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023150526-A1 COMPETITIVE AND NONCOMPETITIVE OCTAHYDROCYCLOPENTA[C]PYRROLE INHIBITORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M5 VANDERBILT UNIVERSITY (US) 2023-08-10 WO disclosed
US-9789118-B2 Bicyclic acetyl-CoA carboxylase inhibitors and uses thereof NOVARTIS AG (CH) 2017-10-17 US disclosed
US-20140171363-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2014-06-19 US disclosed
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2012-02-02 US disclosed
US-7834049-B2 Sulfonamide compound for treating arteriosclerosis, psoriasis, colon cancer, retinal angiogenesis, diabetic retinopathy or inflammatory diseases EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-11-16 US disclosed
US-20100267754-A1 INTEGRIN EXPRESSION INHIBITOR WAKABAYASHI TOSHIAKI 2010-10-21 US disclosed
US-20070093515-A1 Phosphodiesterase 10 inhibitors AMGEN INC. 2007-04-26 US disclosed
US-20070093515-A1 Phosphodiesterase 10 inhibitors AMGEN INC. 2007-04-26 US disclosed
WO-2007022280-A1 PHOSPHODIESTERASE 10 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2007-02-22 WO disclosed
WO-2006028957-A1 4-SUBSTITUTED 4, 6-DIALKOXY-CINNOLINE DERIVATIVES AS PHOSPODIESTERASE 10 INHIBITORS FOR THE TREATMENT OF PSYCHIATRIC OR NEUROLOGICAL SYNDROMS MEMORY PHARMACEUTICALS CORPORATION (US) 2006-03-16 WO disclosed
EP-1243583-B1 HETEROCYCLIC COMPOUNDS HAVING SULFONAMIDE GROUPS EISAI CO LTD (JP) 2005-09-28 EP disclosed
US-20050176712-A1 Integrin expression inhibitor EISAI CO., LTD. 2005-08-11 US disclosed
US-6787534-B2 SUBSTITUTED QUINOLINE AND ISOQUINOLINE ANTIANGIOGENIC AGENTS; SULFONYLUREAS EISAI CO., LTD. (JP) 2004-09-07 US disclosed
US-20040018192-A1 Integrin expression inhibitors EISAI CO., LTD. (JP) 2004-01-29 US disclosed
US-20030144507-A1 Sulfonamide-containing heterocyclic compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2003-07-31 US disclosed
EP-1258252-A1 INTEGRIN EXPRESSION INHIBITORS Eisai Co., Ltd. (JP) 2002-11-20 EP disclosed
EP-1243583-A1 HETEROCYCLIC COMPOUNDS HAVING SULFONAMIDE GROUPS Eisai Co., Ltd. (JP) 2002-09-25 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 (7 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-20050176712-A1 Integrin expression inhibitor ITGB5, ITGB1, ITGB2 TP53 1347/4885ALDH1A1 1256/4885LMNA 3673/4885
US-20140171363-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF ACACA, ACACB, COASY TP53 3890/4885ALDH1A1 215/4885LMNA 2697/4885
US-20070093515-A1 Phosphodiesterase 10 inhibitors PDE7A, PDE12, PDE10A TP53 4798/4885ALDH1A1 745/4885LMNA 4307/4885
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF ACACA, ACACB, COASY TP53 3890/4885ALDH1A1 215/4885LMNA 2697/4885
US-20100267754-A1 INTEGRIN EXPRESSION INHIBITOR ITGB5, ITGB1, ITGB2 TP53 1347/4885ALDH1A1 1256/4885LMNA 3673/4885
US-20040018192-A1 Integrin expression inhibitors ITGB1, ITGB4, ITGB5 TP53 2373/4885ALDH1A1 1266/4885LMNA 3427/4885
US-20030144507-A1 Sulfonamide-containing heterocyclic compounds SLC5A2, SLC5A1, CBR3 TP53 3580/4885ALDH1A1 1018/4885LMNA 3807/4885

“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.