SCHEMBL3539406

SCHEMBL3539406

O=S(=O)(c1ccc(CCl)cc1)c1ccc(CCl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ CA2 P00918 6/20 0.48
▸ CA1 P00915 5/20 0.48
▸ HTR6 P50406 3/20 0.47
▸ LMNA P02545 1/20 0.46
▸ MPO P05164 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ PRMT1 Q99873 1/20 0.45
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ PKM P14618 1/20 0.41
▸ CA12 O43570 2/20 0.39
▸ CA4 P22748 2/20 0.39
▸ CA6 P23280 2/20 0.39
▸ CA5A P35218 2/20 0.39
▸ CA7 P43166 2/20 0.39

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
SCHEMBL708861 0.91 HTR6 (0.61) CYP3A4ALDH1A1MAPK1CA2CA1
SCHEMBL396619 0.82 ALDH1A1 (0.50) ALDH1A1CA2CA1TSHRMEN1
SCHEMBL4125638 0.82 CA2 (0.46) CYP3A4ALDH1A1MAPK1CA2CA1
SCHEMBL587389 0.80 HTR6 (0.53) CYP3A4ALDH1A1MAPK1CA2CA1
SCHEMBL1595559 0.80 CA2 (0.45) CYP3A4ALDH1A1CA2CA1CYP2C9
SCHEMBL3386871 0.80 LMNA (0.52) ALDH1A1CA2CA1LMNACYP2C9
SCHEMBL1596586 0.80 CA2 (0.45) CA2CA1TSHRKMT2ACA12
SCHEMBL11205634 0.80 F2 (0.57) CA2CA1TSHRCA12CA4
SCHEMBL14830747 0.80 CA2 (0.48) CA2CA1LMNACYP2C9TSHR
SCHEMBL2304051 0.80 CA2 (0.64) CA2CA1TSHRCA12CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1311499-B1 BICYCLIC COMPOUNDS AS H3 RECEPTOR LIGANDS ORTHO MCNEIL PHARM INC (US) 2006-04-12 — — EP claimed
US-6638967-B2 Pyrrole, furan, thiofuran and phenyl derivatives; inhibition of histamine H3 receptor activity; for example, 1-((4-(4-Pyrrolidin-1-ylmethyl-phenyl)-thien-2-yl)methyl)-pyrrolidine ORTHO-MCNEIL PHAMRACEUTICAL, INC. 2003-10-28 — — US claimed
EP-0743574-B1 Migration imaging members XEROX CORP (US) 2000-12-27 — — EP claimed
EP-0743573-B1 Method for obtaining image contrast migration imaging members XEROX CORP (US) 2000-09-06 — — EP claimed
EP-0743574-A2 Migration imaging members XEROX CORPORATION (US) 1996-11-20 — — EP claimed
EP-0743573-A2 Method for obtaining image contrast migration imaging members XEROX CORPORATION (US) 1996-11-20 — — EP claimed
US-5563014-A SOFTENABLE LAYER CONTAINIG PHOTOSENSITIVE MARKING MATERIAL; TRANSPARENTIZING AGENT XEROX CORPORATION (US) 1996-10-08 — — US claimed
US-5514505-A SELECTIVE TRANSPARENTIZATION OF PHOTOSENSITIVE MIGRATION MARKING PARTICLES EMBEDDED NEAR THE SURFACE OF A SOFTENABLE LAYER SUPPORTED BY AN ELECTROCONDUCTIVE SUBSTRATE XEROX CORPORATION (US) 1996-05-07 — — US claimed
US-4059610-A Process for preparing isocyanic acid derivatives KAO SOAP CO., LTD. (JA) 1977-11-22 — — US claimed
CN-118756494-A Flame-retardant finishing agent for textile and application thereof 苏州棠华纳米科技有限公司 2024-10-11 — — CN disclosed
US-9969685-B2 Enantioselective synthesis of pyrroloindole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-15 — — US disclosed
WO-2018064094-A1 ENANTIOSELECTIVE SYNTHESIS OF PYRROLOINDOLE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-04-05 — — WO disclosed
US-20180086701-A1 ENANTIOSELECTIVE SYNTHESIS OF PYRROLOINDOLE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2018-03-29 — — US disclosed
US-7723329-B2 Substituted-3-sulfonylindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH LLC (US) 2010-05-25 — — US disclosed
EP-0743574-A2 Migration imaging members XEROX CORPORATION (US) 1996-11-20 — — EP disclosed
US-5563014-A SOFTENABLE LAYER CONTAINIG PHOTOSENSITIVE MARKING MATERIAL; TRANSPARENTIZING AGENT XEROX CORPORATION (US) 1996-10-08 — — US disclosed
US-5514505-A SELECTIVE TRANSPARENTIZATION OF PHOTOSENSITIVE MIGRATION MARKING PARTICLES EMBEDDED NEAR THE SURFACE OF A SOFTENABLE LAYER SUPPORTED BY AN ELECTROCONDUCTIVE SUBSTRATE XEROX CORPORATION (US) 1996-05-07 — — US disclosed
US-5202444-A 1L-1,2:5,6-di-O-cyclohexylidene-chiro-inositol derivatives; intermediates for diols and hydroxycarboxylic acids and esters and antibiotics THE YOKOHAMA RUBBER CO., LTD. (JP) 1993-04-13 — — US disclosed
US-4059610-A Process for preparing isocyanic acid derivatives KAO SOAP CO., LTD. (JA) 1977-11-22 — — US disclosed
US-4036838-A Process for the production of nitro derivatives of aromatic compounds BAYER AKTIENGESELLSCHAFT (DT) 1977-07-19 — — 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 (1 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-20180086701-A1 ENANTIOSELECTIVE SYNTHESIS OF PYRROLOINDOLE COMPOUNDS PCNA, POLR2E, POLL CYP3A4 960/4885ALDH1A1 2929/4885MAPK1 4354/4885

“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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