SCHEMBL2626664

SCHEMBL2626664

CC(=O)Nc1ccc(S(=O)(=O)Cl)cc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 4/20 0.53
▸ CA2 P00918 4/20 0.53
▸ CA9 Q16790 4/20 0.53
▸ ALDH1A1 P00352 2/20 0.49
▸ HPGD P15428 1/20 0.49
▸ BACE1 P56817 1/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ KMT2A Q03164 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ LMNA P02545 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ POLB P06746 3/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ ESR1 P03372 1/20 0.43
▸ PKM P14618 3/20 0.43
▸ TP53 P04637 1/20 0.43
▸ CASP6 P55212 1/20 0.42
▸ MAPT P10636 1/20 0.42

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
SCHEMBL1972668 0.87 ALDH1A1 (0.50) CA1CA2CA9ALDH1A1HPGD
SCHEMBL12555528 0.85 CASP6 (0.57) CA1CA2CA9ALDH1A1HPGD
SCHEMBL1020216 0.83 CA1 (0.74) CA1CA2CA9ALDH1A1NPC1
SCHEMBL30139067 0.83 LMNA (0.55) CA1CA2CA9ALDH1A1HPGD
SCHEMBL2639424 0.83 CA1 (0.71) CA1CA2CA9ALDH1A1HPGD
SCHEMBL5891041 0.83 CASP6 (0.56) CA1CA2CA9ALDH1A1HPGD
SCHEMBL5891034 0.83 LMNA (0.55) CA1CA2CA9ALDH1A1HPGD
SCHEMBL2626668 0.82 CA1 (0.72) CA1CA2CA9NPC1KMT2A
SCHEMBL20766191 0.82 CA1 (0.74) CA1CA2CA9NPC1KMT2A
SCHEMBL14419466 0.81 BACE1 (0.55) CA1CA2CA9ALDH1A1HPGD

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023202583-A1 FXR REGULATOR AND USE THEREOF 北京大学 2023-10-26 — — WO disclosed
CN-116903559-A FXR modulators and uses thereof 北京大学 2023-10-20 — — CN disclosed
US-9814700-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents NIVALIS THERAPEUTICS, INC. (US) 2017-11-14 — — US disclosed
US-9814700-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents NIVALIS THERAPEUTICS, INC. (US) 2017-11-14 — — US disclosed
US-20170049750-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents LAUREL THERAPEUTICS LTD. (CN) 2017-02-23 — — US disclosed
US-20170049750-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents LAUREL THERAPEUTICS LTD. (CN) 2017-02-23 — — US disclosed
US-9498466-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents NIVALIS THERAPEUTICS, INC. (US) 2016-11-22 — — US disclosed
US-9498466-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents NIVALIS THERAPEUTICS, INC. (US) 2016-11-22 — — US disclosed
EP-2318006-B1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS NIVALIS THERAPEUTICS INC (US) 2016-10-12 — — EP disclosed
EP-3069721-A1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS Nivalis Therapeutics, Inc. (US) 2016-09-21 — — EP disclosed
US-20120178713-A1 PHENYL SULPHONAMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-12 — — US disclosed
US-8163720-B2 Pyrrolidinyl phenyl sulphonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-24 — — US disclosed
US-20110144110-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents N30 PHARMACEUTICALS, LLC (US) 2011-06-16 — — US disclosed
US-20110144180-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents N30 PHARMACEUTICALS, LLC (US) 2011-06-16 — — US disclosed
US-20110144180-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents N30 PHARMACEUTICALS, LLC (US) 2011-06-16 — — US disclosed
US-20110144110-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents N30 PHARMACEUTICALS, LLC (US) 2011-06-16 — — US disclosed
US-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-07 — — US disclosed
WO-2010019903-A1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS N30 PHARMACEUTICALS, LLC (US) 2010-02-18 — — WO disclosed
WO-2010019910-A1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS N30 PHARMACEUTICALS, LLC (US) 2010-02-18 — — WO disclosed
US-7273863-B1 Benzophenones as inhibitors of reverse transcriptase SMITHKLINE BEECHAM CORPORATION (US) 2007-09-25 — — 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 (5 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-20120178713-A1 PHENYL SULPHONAMIDES AS MODULATORS OF ION CHANNELS TRPV1, TRPA1, TRPV5 CA1 1001/4885CA2 153/4885CA9 2373/4885
US-20170049750-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents GSR, DHFR, GRHPR CA1 4697/4885CA2 4299/4885CA9 4552/4885
US-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS TRPV1, KCNJ2, TRPA1 CA1 1156/4885CA2 164/4885CA9 2755/4885
US-20110144180-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents GSR, DHFR, GRHPR CA1 4697/4885CA2 4299/4885CA9 4552/4885
US-20110144110-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents GSR, DHFR, GRHPR CA1 4697/4885CA2 4299/4885CA9 4552/4885

“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.

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