SCHEMBL893545

SCHEMBL893545

O=C(O)C1CCCN1S(=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
SCHEMBL893543 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 14 patents. 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
CN-105612153-A Substituted sulfonamide compounds as TRPA1 conditioner HOFFMANN LA ROCHE 2016-05-25 CN disclosed
US-8614201-B2 Heterocyclic amides as modulators of TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2013-12-24 US disclosed
WO-2012152983-A1 PHENYL- SULFONYL DERIVATIVES AS MEDIATORS OF TRPA1 RECEPTOR ACTIVITY FOR THE TREATMENT OF PAIN ORION CORPORATION (FI) 2012-11-15 WO disclosed
EP-2520566-A1 New Pharmaceutical Compounds Orion Corporation (FI) 2012-11-07 EP disclosed
US-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US disclosed
WO-2010141805-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 WO disclosed
US-6743787-B2 FOR THERAPY OF METABOLIC DISORDERS MEDIATED BY INSULIN RESISTANCE OR HYPERGLYCEMIA IN A MAMMAL WYETH 2004-06-01 US disclosed
US-20030027795-A1 N-(4-sulfonylaryl)cyclylamine-2-hydroxyethylamines as beta-3 adrenergic receptor agonists WYETH 2003-02-06 US disclosed
US-6444685-B1 THERAPY FOR METABOLISM DISEASES; DIETETICS; ANTIDIABETIC AGENTS WYETH 2002-09-03 US disclosed
US-20020028797-A1 N-(4-sulfonylaryl)Cyclylamine 2-hydroxyethylamines as beta-3 adrenergic receptor agonists AMERICAN HOME PRODUCTS CORPORATION 2002-03-07 US disclosed
WO-2002006274-A1 N-(4-SULFONYLARYL)CYCLYLAMINE-2-HYDROXYETHYLAMINES AS BETA-3 ADRENERGIC RECEPTOR AGONISTS WYETH (US) 2002-01-24 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 (3 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-20030027795-A1 N-(4-sulfonylaryl)cyclylamine-2-hydroxyethylamines as beta-3 adrenergic receptor agonists ADRB3, ADRB1, ADRB2 ALDH1A1 2253/4885HTT 388/4885LMNA 1552/4885
US-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 TRPA1, TRPV1, TRPV2 ALDH1A1 1469/4885HTT 158/4885LMNA 4619/4885
US-20020028797-A1 N-(4-sulfonylaryl)Cyclylamine 2-hydroxyethylamines as beta-3 adrenergic receptor agonists ADRB3, ADRB1, ADRB2 ALDH1A1 1800/4885HTT 464/4885LMNA 1464/4885

“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.