SCHEMBL7096080

SCHEMBL7096080

O=S(=O)(c1ccc(F)cc1)N1CCCCC1

nearest known ligand 0.80

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.80
MAPT P10636 2/20 0.77
POLB P06746 3/20 0.71
PKM P14618 1/20 0.70
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
GAA P10253 3/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
KDM4E B2RXH2 1/20 0.61
ALDH1A1 P00352 1/20 0.61
HTT P42858 1/20 0.61
LMNA P02545 1/20 0.61

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
SCHEMBL4554939 1.00 USP2 (0.80) USP2MAPTPOLBPKMMEN1
SCHEMBL3236916 0.98 MAPT (0.80) USP2MAPTPOLBPKMMEN1
SCHEMBL423283 0.94 MAPT (0.74) USP2MAPTPOLBPKMMEN1
SCHEMBL208150 0.90 POLB (0.73) USP2MAPTPOLBPKMMEN1
SCHEMBL1711115 0.90 PKM (0.85) USP2MAPTPOLBPKMMEN1
SCHEMBL16964845 0.82 PKM (0.68) USP2MAPTPOLBPKMMEN1
SCHEMBL12793000 0.82 ALDH1A1 (0.73) USP2MAPTPOLBMEN1KMT2A
SCHEMBL20387932 0.82 ALDH1A1 (0.68) USP2MAPTPOLBMEN1KMT2A
Tert-Butyl Formate SCHEMBL28108074 0.81 MAPT (0.58) USP2MAPTPOLBPKMMEN1
SCHEMBL1797016 0.81 MAPT (0.69) MAPTPOLBPKMMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106061956-B Heterocyclic sulfones as ROR gamma modulators 百时美施贵宝公司 2021-03-12 CN disclosed
CN-105764900-B CRTH2 agonist compounds and application thereof 广东东阳光药业有限公司 2018-04-03 CN disclosed
CN-106061956-A Heterocyclic sulfone as ror-gamma modulators 百时美施贵宝公司 2016-10-26 CN disclosed
WO-2016128529-A1 1-(HET)ARYLSULFONYL-(PYRROLIDINE OR PIPERIDINE)-2-CARBOXAMIDE DERIVATIVES AND THEIR USE AS TRPA1 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2016-08-18 WO disclosed
US-6605618-B2 Antidiabetic agents; hypoglycemic agents; anticholesterol agents; side effect reduction WYETH 2003-08-12 US disclosed
US-20030018045-A1 Heterocyclic beta-3 adrenergic receptor agonists WYETH (US) 2003-01-23 US disclosed
US-6506901-B2 1-(9H-Carbazol-4-yloxy)-3-((1-(7-trifluoromethyl-quinolin-4-yl) -piperidin-4-lmethyl)-amino)-propan-2-ol, for example; treating diabetes, urinary continence, atherosclerosis, gastrointestinal disorders, glaucoma WYETH 2003-01-14 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-20020037907-A1 Substituted 2- (S) -hydroxy-3- (piperidin-4-yl-methylamino) -propyl ethers and substituted 2-aryl-2- (R) - hydroxy-1- (piperidin-4-yl-methyl) -ethylamine beta-3 adrenergic receptor agonists AMERICAN HOME PRODUCTS CORPORATION (US) 2002-03-28 US disclosed
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists AMERICAN HOME PRODUCTS CORPORATION (US) 2002-03-07 US disclosed
WO-2002006255-A2 HYDROXY-(PIPERIDIN-4-YL-METHYLAMINO)-ALKYL BETA-3 ADRENERGIC RECEPTOR ANTAGONISTS WYETH (US) 2002-01-24 WO disclosed
WO-2002006229-A2 HETEROCYCLIC 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-20030018045-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB2, ADRB1, ADRB3 USP2 1752/4885MAPT 1539/4885POLB 2061/4885
US-20020037907-A1 Substituted 2- (S) -hydroxy-3- (piperidin-4-yl-methylamino) -propyl ethers and substituted 2-aryl-2- (R) - hydroxy-1- (piperidin-4-yl-methyl) -ethylamine beta-3 adrenergic receptor agonists GPR119, ADRB1, ADRB2 USP2 2605/4885MAPT 1657/4885POLB 2078/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 USP2 2158/4885MAPT 1106/4885POLB 2195/4885

“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.