SCHEMBL3682884

SCHEMBL3682884

O=S(=O)(Cl)c1cccc(OCc2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.54
MAOA P21397 1/20 0.54
NR4A2 P43354 1/20 0.54
CYP4F2 P78329 1/20 0.51
CYP4A11 Q02928 1/20 0.51
BCHE P06276 1/20 0.51
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA4 P22748 1/20 0.51
CA5A P35218 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
CA5B Q9Y2D0 1/20 0.51
MGLL Q99685 1/20 0.51
PGR P06401 1/20 0.51
AR P10275 1/20 0.50
GRM5 P41594 1/20 0.49
CCNB2 O95067 1/20 0.49
CDK1 P06493 1/20 0.49

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
SCHEMBL9283044 0.92 MAOB (0.47) MAOBMAOANR4A2CYP4F2CYP4A11
SCHEMBL20326570 0.86 MAOB (0.57) MAOBMAOANR4A2CA12CA1
SCHEMBL2329379 0.84 ALOX5 (0.63) MAOBMAOACA12CA1CA2
SCHEMBL9276364 0.84 NR4A2 (0.58) MAOBMAOANR4A2CYP4F2CYP4A11
SCHEMBL1013923 0.84 CA12 (0.69) MAOBMAOANR4A2CYP4F2CYP4A11
SCHEMBL6772305 0.83 CA12 (0.54) MAOBMAOANR4A2CYP4F2CYP4A11
SCHEMBL6772311 0.83 NR4A2 (0.56) MAOBMAOANR4A2CYP4F2CYP4A11
SCHEMBL2331780 0.82 ALOX5 (0.64) MAOBMAOACA12CA1CA2
SCHEMBL19951287 0.81 CA12 (0.60) CA12CA1CA2CA4CA5A
SCHEMBL926213 0.81 CA12 (0.70) MAOBMAOANR4A2CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118894801-A Pyrrole sulfonyl derivative, and preparation method and application thereof 天地恒一制药股份有限公司 2024-11-05 CN disclosed
CN-117736133-A Pyrrole sulfonyl derivatives, preparation method and medical application thereof 江苏柯菲平医药股份有限公司 2024-03-22 CN disclosed
US-8410150-B2 Inhibitors of carnitine palmitoyltransferase and treating cancer UNIVERSITY HEALTH NETWORK (CA) 2013-04-02 US disclosed
US-20120225909-A1 INDAZOLE ANALOG ASAHI KASEI PHARMA CORPORATION (JP) 2012-09-06 US disclosed
US-20120225909-A1 INDAZOLE ANALOG ASAHI KASEI PHARMA CORPORATION (JP) 2012-09-06 US disclosed
US-20120225909-A1 INDAZOLE ANALOG ASAHI KASEI PHARMA CORPORATION (JP) 2012-09-06 US disclosed
EP-2484668-A1 INDAZOLE ANALOGUE Asahi Kasei Pharma Corporation (JP) 2012-08-08 EP disclosed
WO-2012073249-A1 A NOVEL PROCESS FOR THE PREPARATION OF 3-(BENZYLOXY)- BENZENETHIOL, A KEY INTERMEDIATE FOR THE PREPARATION OF PHARMACEUTICAL DRUGS. ARCH PHARMALABS LIMITED (IN) 2012-06-07 WO disclosed
WO-2012073249-A1 A NOVEL PROCESS FOR THE PREPARATION OF 3-(BENZYLOXY)- BENZENETHIOL, A KEY INTERMEDIATE FOR THE PREPARATION OF PHARMACEUTICAL DRUGS. ARCH PHARMALABS LIMITED (IN) 2012-06-07 WO disclosed
US-20100105900-A1 INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER UNIVERSITY HEALTH NETWORK 2010-04-29 US disclosed
US-20040097594-A1 Sulfonamide inhibitors of aspartyl protease HALE MICHAEL ROBIN (US) 2004-05-20 US disclosed
WO-2003095428-A1 DOPAMINE RECEPTOR MODULATORS AS ANTIPSYCHOTIC AGENTS GLAXO GROUP LIMITED (GB) 2003-11-20 WO disclosed
US-6613743-B2 Administering to a patient suffering from viral infections a sulfonamides antiviral agents which are aspartyl protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-09-02 US disclosed
US-6441017-B1 Inhibitors of prenyl-protein transferase MERCK & CO., INC. 2002-08-27 US disclosed
EP-1214326-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2002-06-19 EP disclosed
US-20020049201-A1 Sulfonamide inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED 2002-04-25 US disclosed
WO-2002020015-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2002-03-14 WO disclosed
EP-1086076-A1 SULFONAMIDE INHIBITORS OF ASPARTYL PROTEASE Vertex Pharmaceuticals Incorporated (US) 2001-03-28 EP disclosed
WO-2001018006-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2001-03-15 WO disclosed
WO-1999065870-A2 SULFONAMIDE INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 1999-12-23 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 (4 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-20040097594-A1 Sulfonamide inhibitors of aspartyl protease SPINT2, PRSS1, DNPEP MAOB 4159/4885MAOA 3746/4885NR4A2 4634/4885
US-20020049201-A1 Sulfonamide inhibitors of aspartyl protease SPINT2, PRSS1, DNPEP MAOB 4159/4885MAOA 3746/4885NR4A2 4634/4885
US-20120225909-A1 INDAZOLE ANALOG ADRB3, ADRB1, ADRB2 MAOB 605/4885MAOA 527/4885NR4A2 1310/4885
US-20100105900-A1 INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER CPT1A, CPT1B, CPT2 MAOB 1160/4885MAOA 1359/4885NR4A2 3508/4885

“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.