SCHEMBL1785493

SCHEMBL1785493

CC(C)(C)OC(=O)N1CC[C@@H](S(=O)(=O)c2ccc3nc(N)sc3c2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.49
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
MAPT P10636 1/20 0.45
VDR P11473 1/20 0.45
GFER P55789 1/20 0.45
GPR55 Q9Y2T6 1/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
PKM P14618 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NAMPT P43490 1/20 0.42
AKT1 P31749 1/20 0.41
MTOR P42345 1/20 0.41
GPR119 Q8TDV5 3/20 0.40

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
SCHEMBL1791049 1.00 PIK3CA (0.49) PIK3CACYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL1788127 1.00 PIK3CA (0.49) PIK3CACYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL1786188 0.94 PIK3CA (0.52) PIK3CACYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL1786763 0.85 LMNA (0.51) CYP3A4CYP2C9CYP1A2CYP2D6ALDH1A1
SCHEMBL1787659 0.85 LMNA (0.51) CYP3A4CYP2C9CYP1A2CYP2D6ALDH1A1
SCHEMBL1789550 0.85 LMNA (0.51) CYP3A4CYP2C9CYP1A2CYP2D6ALDH1A1
SCHEMBL1788004 0.81 LMNA (0.53) CYP3A4CYP2C9CYP1A2CYP2D6ALDH1A1
SCHEMBL1786792 0.80 PIK3CA (0.51) PIK3CACYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL1785921 0.80 PIK3CA (0.51) PIK3CACYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL1789635 0.80 PIK3CA (0.51) PIK3CACYP3A4CYP2C9CYP1A2CYP2D6

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-20130203730-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2013-08-08 US disclosed
US-20130203730-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2013-08-08 US disclosed
US-20120115845-A1 THERAPEUTIC AGENTS ALLEN JACK MCQUEEN (GB) 2012-05-10 US disclosed
US-20120115845-A1 THERAPEUTIC AGENTS ALLEN JACK MCQUEEN (GB) 2012-05-10 US disclosed
US-20110124621-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2011-05-26 US disclosed
US-20110124621-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2011-05-26 US disclosed
US-20110124621-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2011-05-26 US disclosed
CN-101883762-A Benzothiazoles as modulators of growth hormone releasing hormone receptors ASTRAZENECA AB 2010-11-10 CN disclosed
US-20090186870-A1 Therapeutic Agents - 802 ASTRAZENECA AB (SE) 2009-07-23 US disclosed
US-20090186870-A1 Therapeutic Agents - 802 ASTRAZENECA AB (SE) 2009-07-23 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 (4 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-20130203730-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS GPR119, GHSR, GLP1R PIK3CA 4190/4885CYP3A4 3775/4885CYP2C9 3107/4885
US-20120115845-A1 THERAPEUTIC AGENTS GPR119, MC2R, MC4R PIK3CA 3376/4885CYP3A4 3683/4885CYP2C9 4112/4885
US-20090186870-A1 Therapeutic Agents - 802 GPR119, SLC5A2, MC2R PIK3CA 3249/4885CYP3A4 4435/4885CYP2C9 4652/4885
US-20110124621-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS GPR119, GHSR, GLP1R PIK3CA 4190/4885CYP3A4 3775/4885CYP2C9 3107/4885

“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.