Sugi Predict

Sugi Predict / Compounds / SCHEMBL893543

SCHEMBL893543

SCHEMBL893543

O=C(O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.66
▸ HTT P42858 2/20 0.66
▸ LMNA P02545 1/20 0.66
▸ TRPA1 O75762 1/20 0.64
▸ MAPT P10636 3/20 0.62
▸ TSHR P16473 1/20 0.60
▸ KDM4E B2RXH2 3/20 0.60
▸ HSD17B10 Q99714 1/20 0.60
▸ L3MBTL1 Q9Y468 3/20 0.59
▸ GAA P10253 2/20 0.59
▸ ATM Q13315 1/20 0.59
▸ THRB P10828 2/20 0.58
▸ GLA P06280 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ TDP1 Q9NUW8 1/20 0.56

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
SCHEMBL893545 1.00 ALDH1A1 (0.66) ALDH1A1HTTLMNATRPA1MAPT
SCHEMBL15648472 0.95 ALDH1A1 (0.72) ALDH1A1HTTLMNATRPA1MAPT
SCHEMBL6962263 0.95 ALDH1A1 (0.72) ALDH1A1HTTLMNATRPA1MAPT
SCHEMBL16635434 0.92 ALDH1A1 (0.59) ALDH1A1HTTLMNATRPA1MAPT
SCHEMBL15832928 0.92 ALDH1A1 (0.59) ALDH1A1HTTLMNATRPA1MAPT
SCHEMBL20271460 0.89 ALDH1A1 (0.67) ALDH1A1HTTLMNAMAPTTSHR
SCHEMBL28864063 0.88 LMNA (0.63) ALDH1A1HTTLMNATRPA1MAPT
SCHEMBL13570655 0.88 LMNA (0.63) ALDH1A1HTTLMNATRPA1MAPT
SCHEMBL3721226 0.88 LMNA (0.63) ALDH1A1HTTLMNATRPA1MAPT
SCHEMBL13570656 0.88 LMNA (0.63) ALDH1A1HTTLMNATRPA1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8614201-B2 Heterocyclic amides as modulators of TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2013-12-24 — — US claimed
WO-2010141805-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 — — WO claimed
EP-3191464-B1 SYNTHESIS OF ISOFLAVANES AND INTERMEDIATES THEREOF SYSTEM BIOLOGIE AG (CH) 2019-11-06 — — EP disclosed
EP-3191464-B1 SYNTHESIS OF ISOFLAVANES AND INTERMEDIATES THEREOF SYSTEM BIOLOGIE AG (CH) 2019-11-06 — — EP disclosed
US-20190023699-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVE AND MEDICINE CONTAINING SAME EA PHARMA CO., LTD. (JP) 2019-01-24 — — US disclosed
US-10030003-B2 Synthesis of isoflavanes and intermediates thereof SYSTEM BIOLOGIE AG (CH) 2018-07-24 — — US disclosed
US-10030003-B2 Synthesis of isoflavanes and intermediates thereof SYSTEM BIOLOGIE AG (CH) 2018-07-24 — — US disclosed
US-10030003-B2 Synthesis of isoflavanes and intermediates thereof SYSTEM BIOLOGIE AG (CH) 2018-07-24 — — US disclosed
US-20170283389-A1 Synthesis of Isoflavanes and Intermediates Thereof SYSTEM BIOLOGIE AG (CH) 2017-10-05 — — US disclosed
US-20170283389-A1 Synthesis of Isoflavanes and Intermediates Thereof SYSTEM BIOLOGIE AG (CH) 2017-10-05 — — US disclosed
US-20170283389-A1 Synthesis of Isoflavanes and Intermediates Thereof SYSTEM BIOLOGIE AG (CH) 2017-10-05 — — US disclosed
US-20030018045-A1 Heterocyclic beta-3 adrenergic receptor agonists WYETH (US) 2003-01-23 — — US disclosed
US-6451814-B1 SUBSTITUTED 4-((4-AMINO-5-HYDROXYPHENYL)-OXY-)PIPERIDINE ANALOGS; METABOLIC DISORDERS; ANTIDIABETIC AGENTS; ATHERO-SCLEROSIS, GASTROINTESTINAL DISORDERS, GLAUCOMA, NEUROGENETIC INFLAMMATION, OCULAR HYPERTENSION AND FREQUENT URINATION WYETH 2002-09-17 — — US disclosed
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists AMERICAN HOME PRODUCTS CORPORATION (US) 2002-03-07 — — US disclosed
WO-2002006229-A2 HETEROCYCLIC BETA-3 ADRENERGIC RECEPTOR AGONISTS WYETH (US) 2002-01-24 — — WO disclosed
EP-1060178-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ROTAMASE ENZYMES PFIZER INC. (US) 2000-12-20 — — EP disclosed
WO-1999045006-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ROTAMASE ENZYMES PFIZER INC. (US) 1999-09-10 — — WO disclosed
US-5663174-A ANTIINFLAMMATORY AGENTS, INHIBITOR OF KINASES, ANTIARTHRITIC AGENTS PHARNO-WEDROPHARM GMBH (DE) 1997-09-02 — — US disclosed
EP-0602028-B1 AROMATIC SULFONAMIDE DERIVATIVES, THEIR USE AS ENZYME INHIBITORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PHARNO WEDROPHARM GMBH (DE) 1996-01-17 — — EP disclosed
WO-1993005014-A1 AROMATIC SULFONAMIDE DERIVATIVES, THEIR USE AS ENZYME INHIBITORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PHARNO-WEDROPHARM GMBH (DE) 1993-03-18 — — 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 (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-20190023699-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVE AND MEDICINE CONTAINING SAME TRPA1, TRPV1, TRPV2 ALDH1A1 439/4885HTT 616/4885LMNA 3304/4885
US-20030018045-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB2, ADRB1, ADRB3 ALDH1A1 725/4885HTT 1613/4885LMNA 2367/4885
US-10030003-B2 Synthesis of isoflavanes and intermediates thereof CYP4B1, CYP51A1, CYP4A11 ALDH1A1 752/4885HTT 4009/4885LMNA 1804/4885
US-20170283389-A1 Synthesis of Isoflavanes and Intermediates Thereof CYP4B1, CYP51A1, CYP4A11 ALDH1A1 752/4885HTT 4009/4885LMNA 1804/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 ALDH1A1 524/4885HTT 1194/4885LMNA 1884/4885

“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.