SCHEMBL3791521

SCHEMBL3791521

O=S(=O)(Nc1cccc(Cl)c1)c1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 7/20 0.81
▸ CYP19A1 P11511 1/20 0.69
▸ IL1RN P18510 1/20 0.66
▸ KEAP1 Q14145 1/20 0.66
▸ ERAP1 Q9NZ08 1/20 0.66
▸ HTR6 P50406 2/20 0.65
▸ ALOX15 P16050 1/20 0.62
▸ ALDH1A1 P00352 3/20 0.61
▸ PKM P14618 3/20 0.61
▸ MEN1 O00255 2/20 0.61
▸ KMT2A Q03164 2/20 0.61
▸ TSHR P16473 2/20 0.61
▸ CYP1A2 P05177 1/20 0.60
▸ CYP3A4 P08684 1/20 0.60
▸ CYP2C19 P33261 1/20 0.60
▸ GAA P10253 1/20 0.59
▸ HPGD P15428 1/20 0.59

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
SCHEMBL3756876 0.89 PGR (1.00) PGRCYP19A1IL1RNKEAP1ERAP1
SCHEMBL9001184 0.87 KEAP1 (0.79) PGRCYP19A1IL1RNKEAP1ERAP1
SCHEMBL2444333 0.85 KEAP1 (0.64) PGRCYP19A1IL1RNKEAP1ERAP1
SCHEMBL3789469 0.85 KEAP1 (0.64) PGRCYP19A1IL1RNKEAP1ERAP1
SCHEMBL343776 0.85 HTR6 (0.73) PGRCYP19A1KEAP1HTR6ALOX15
SCHEMBL14937571 0.85 PGR (0.72) PGRCYP19A1ALOX15ALDH1A1PKM
SCHEMBL29953442 0.84 CYP19A1 (0.62) PGRCYP19A1ALOX15ALDH1A1PKM
SCHEMBL15208759 0.84 CYP19A1 (0.62) PGRCYP19A1ALOX15ALDH1A1PKM
SCHEMBL664321 0.84 KMT2A (0.75) PGRCYP19A1ALOX15ALDH1A1PKM
SCHEMBL29561272 0.83 PGR (0.67) PGRCYP19A1ALOX15ALDH1A1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1651595-A2 UBIQUITIN LIGASE INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2006-05-03 — — EP claimed
WO-2005007621-A2 UBIQUITIN LIGASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2005-01-27 — — WO claimed
EP-0104353-B1 HEAT SENSITIVE RECORD MATERIAL HODOGAYA CHEMICAL CO., LTD. (JP) 1987-10-28 — — EP claimed
US-4482905-A FLUORAN, BENZENESULFONAMIDE, ACID, BINDER HODOGAYA CHEMICAL CO., LTD. (JP) 1984-11-13 — — US claimed
EP-0104353-A2 Heat sensitive record material HODOGAYA CHEMICAL CO., LTD. (JP) 1984-04-04 — — EP claimed
US-20230116770-A1 SMALL MOLECULE ACTIVATORS OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute 2023-04-13 — — US disclosed
CN-114163362-B Preparation method of N-benzenesulfonyl-4-halo-2-nitroaniline 山东第一医科大学(山东省医学科学院) 2023-04-07 — — CN disclosed
CN-114163362-A Preparation method of N-benzenesulfonyl-4-halo-2-nitroaniline 山东第一医科大学(山东省医学科学院) 2022-03-11 — — CN disclosed
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 — — US disclosed
CN-100536839-C Urea derivatives as integrin alpha 4 antagonists ALMIRALL PRODESFARMA SA (ES) 2009-09-09 — — CN disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 — — EP disclosed
US-20070238763-A1 Urea derivatives as integrin a4 antagonists LABORATORIOS ALMIRALL, S.A. 2007-10-11 — — US disclosed
EP-1383750-B1 UREA DERIVATIVES AS INTEGRIN ALPHA 4 ANTAGONISTS ALMIRALL LAB (ES) 2007-09-26 — — EP disclosed
US-7253171-B2 Urea derivatives as integrin α4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2007-08-07 — — US disclosed
CN-1531425-A Urea derivatives as integrin alpha 4 antagonists ������ҩ�����޹�˾ 2004-09-22 — — CN disclosed
US-20040142982-A1 Urea derivatives as integrin alpha 4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2004-07-22 — — US disclosed
EP-1383750-A2 UREA DERIVATIVES AS INTEGRIN ALPHA 4 ANTAGONISTS Almirall Prodesfarma, S.A. (ES) 2004-01-28 — — EP disclosed
WO-2002078970-A1 HEAT SENSITIVE RECORDING MATERIAL CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-10-10 — — WO disclosed
WO-2002057242-A2 UREA DERIVATIVES AS INTEGRIN ALPHA 4 ANTAGONISTS ALMIRALL PRODESFARMA, S.A. (ES) 2002-07-25 — — 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 PGR 598/4885CYP19A1 176/4885IL1RN 4803/4885
US-20040142982-A1 Urea derivatives as integrin alpha 4 antagonists ITGA4, ITGB4, ITGA1 PGR 1895/4885CYP19A1 4838/4885IL1RN 172/4885
US-20230116770-A1 SMALL MOLECULE ACTIVATORS OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) AND USES THEREOF NAMPT, NAPRT, NNT PGR 3961/4885CYP19A1 3254/4885IL1RN 3494/4885
US-20070238763-A1 Urea derivatives as integrin a4 antagonists ITGB4, ITGA4, ITGB7 PGR 3910/4885CYP19A1 4860/4885IL1RN 441/4885

“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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