SCHEMBL3183107

SCHEMBL3183107

O=C(O)C1CCN(S(=O)(=O)N2CCOCC2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 1.00
CA12 O43570 1/20 0.59
CA7 P43166 1/20 0.59
CA14 Q9ULX7 1/20 0.59
ALDH1A1 P00352 4/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
MAPT P10636 2/20 0.56
CYP2C19 P33261 2/20 0.56
CYP2C9 P11712 1/20 0.56
SMN1; SMN2 Q16637 5/20 0.55
POLB P06746 1/20 0.52
CYP3A4 P08684 1/20 0.51
RECQL P46063 1/20 0.51
KMT2A Q03164 1/20 0.49

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
SCHEMBL29497130 0.88 TSHR (0.78) TSHRALDH1A1L3MBTL1CYP2C19SMN1; SMN2
SCHEMBL8211769 0.84 TSHR (0.71) TSHRALDH1A1L3MBTL1CYP2C19SMN1; SMN2
SCHEMBL4724826 0.77 CA12 (1.00) TSHRCA12CA7CA14ALDH1A1
SCHEMBL3918633 0.76 TSHR (0.61) TSHRALDH1A1CYP2C19SMN1; SMN2POLB
SCHEMBL6521670 0.76 ALDH1A1 (0.65) TSHRALDH1A1L3MBTL1MAPTCYP2C19
SCHEMBL8263003 0.75 CA12 (0.67) TSHRCA12CA7CA14ALDH1A1
SCHEMBL2430488 0.75 CA12 (0.67) TSHRCA12CA7CA14ALDH1A1
SCHEMBL23581751 0.74 TSHR (0.58) TSHRALDH1A1CYP2C19SMN1; SMN2POLB
SCHEMBL7906419 0.74 TSHR (0.58) TSHRALDH1A1MAPTCYP2C19SMN1; SMN2
SCHEMBL3850667 0.74 TSHR (0.58) TSHRCA12CA7CA14ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2475644-B1 HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES HOFFMANN LA ROCHE (CH) 2014-01-08 EP claimed
US-8258158-B2 HSL inhibitors useful in the treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2012-09-04 US claimed
EP-2475644-A1 HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES F. Hoffmann-La Roche AG (CH) 2012-07-18 EP claimed
CN-102099335-A Heterocyclic antiviral compounds HOFFMANN LA ROCHE 2011-06-15 CN claimed
WO-2011029808-A1 HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2011-03-17 WO claimed
US-20110065707-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES HOFFMANN-LA ROCHE, INC. 2011-03-17 US claimed
WO-2010010017-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-01-28 WO claimed
US-20100021423-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2010-01-28 US claimed
EP-2475644-B1 HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES HOFFMANN LA ROCHE (CH) 2014-01-08 EP disclosed
US-8258158-B2 HSL inhibitors useful in the treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2012-09-04 US disclosed
EP-2475644-A1 HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES F. Hoffmann-La Roche AG (CH) 2012-07-18 EP disclosed
WO-2011029808-A1 HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2011-03-17 WO disclosed
US-20110065707-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES HOFFMANN-LA ROCHE, INC. 2011-03-17 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-20110065707-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES LIPE, PNLIP, LPL TSHR 854/4885CA12 4847/4885CA7 4510/4885
US-20100021423-A1 Heterocyclic antiviral compounds POLR2A, RRM2B, RRP1B TSHR 1823/4885CA12 4866/4885CA7 4552/4885

“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.