SCHEMBL5830635

SCHEMBL5830635

CC(CN)c1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
TAAR1 Q96RJ0 2/20 0.52
CA2 P00918 15/20 0.50
CA1 P00915 12/20 0.50
CA9 Q16790 11/20 0.50
CA12 O43570 9/20 0.50
CA7 P43166 8/20 0.50
CA5A P35218 6/20 0.50
CA5B Q9Y2D0 6/20 0.50
CA6 P23280 4/20 0.50
CA4 P22748 4/20 0.50
CA14 Q9ULX7 3/20 0.50
MAPT P10636 1/20 0.48
CA3 P07451 1/20 0.48
KDM4E B2RXH2 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
USP2 O75604 1/20 0.45
TSHR P16473 1/20 0.45
CA13 Q8N1Q1 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL15247285 0.84 ALDH1A1 (0.56) ALDH1A1CA2CA1CA9CA12
SCHEMBL1626262 0.84 ALDH1A1 (0.56) ALDH1A1CA2CA1CA9CA12
SCHEMBL9492114 0.82 ALDH1A1 (0.55) ALDH1A1CA2CA1CA9CA12
SCHEMBL9597272 0.82 ALDH1A1 (0.55) ALDH1A1CA2CA1CA9CA12
SCHEMBL20085695 0.81 ALDH1A1 (0.53) ALDH1A1CA2CA1CA9CA12
SCHEMBL3006604 0.80 TAAR1 (0.75) ALDH1A1TAAR1KDM4ETSHRTDP1
SCHEMBL84516 0.79 CA2 (0.68) ALDH1A1CA2CA1CA9CA12
Hydrochloric Acid SCHEMBL6564727 0.78 TAAR1 (0.71) TAAR1KDM4ETSHRTDP1
SCHEMBL1790668 0.77 ALDH1A1 (0.62) ALDH1A1CA2CA1CA9CA12
SCHEMBL8248221 0.77 ALDH1A1 (0.62) ALDH1A1CA2CA1CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7041684-B2 Selective β3 adrenergic agonists ELI LILLY AND COMPANY (US) 2006-05-09 US disclosed
US-20050043337-A1 Selective beta3 adrenergic agonists RITO CHRISTOPHER J (US) 2005-02-24 US disclosed
US-6686372-B2 ANTIDIABETIC AGENTS; DIETETICS ELI LILLY AND COMPANY 2004-02-03 US disclosed
US-20020165234-A1 Selective B3 adrenergic agonists CROWELL THOMAS A (US) 2002-11-07 US disclosed
US-6413991-B1 ANTIDIABETIC AGENTS; DIETETICS ELI LILLY AND COMPANY 2002-07-02 US disclosed
EP-0827746-B1 Carbazole analogues as selective beta3 adrenergic agonists LILLY CO ELI (US) 2002-04-03 EP disclosed
US-6140352-A FOR AGONIZING THE BETA 3 ADRENERGIC RECEPTOR TO TREAT TYPE II DIABETES AND OBESITY ELI LILLY AND COMPANY (US) 2000-10-31 US disclosed
WO-1998009625-A1 SELECTIVE β3 ADRENERGIC AGONISTS ELI LILLY AND COMPANY (US) 1998-03-12 WO disclosed
EP-0827746-A1 Carbazole analogues as selective B3 adrenergic agonists ELI LILLY AND COMPANY (US) 1998-03-11 EP disclosed
US-3969365-A ANTIINFLAMMATORY, HYPOGLYCEMIC E. R. SQUIBB & SONS, INC. (US) 1976-07-13 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 (2 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-20050043337-A1 Selective beta3 adrenergic agonists ADRB3, ADRB2, ADRB1 ALDH1A1 763/4885TAAR1 170/4885CA2 2584/4885
US-20020165234-A1 Selective B3 adrenergic agonists ADRB3, ADRB2, ADRB1 ALDH1A1 723/4885TAAR1 118/4885CA2 3294/4885

“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.