SCHEMBL4911646

SCHEMBL4911646

CCOC(=O)CC[C@H](C=C[C@@H](O)Cc1cc(C)cc(C)c1)NC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.43
TACR1 P25103 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
ACE P12821 1/20 0.37
KLK5 Q9Y337 1/20 0.37
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL4911639 1.00 CTSK (0.43) CTSKTACR1CYP1A2CYP2C9CYP2C19
SCHEMBL16493531 1.00 CTSK (0.43) CTSKTACR1CYP1A2CYP2C9CYP2C19
SCHEMBL4910750 0.85 CTSK (0.42) CTSKTACR1CYP1A2CYP2C9CYP2C19
SCHEMBL4910738 0.85 CTSK (0.42) CTSKTACR1CYP1A2CYP2C9CYP2C19
SCHEMBL1401049 0.85 CTSK (0.46) CTSKCYP1A2CYP2C9CYP2C19HTT
SCHEMBL1401046 0.85 CTSK (0.46) CTSKCYP1A2CYP2C9CYP2C19HTT
SCHEMBL4902813 0.77 L3MBTL1 (0.37) TACR1CYP1A2L3MBTL1
SCHEMBL27640544 0.76 CTSK (0.57) CTSKCYP1A2CYP2C9CYP2C19HTT
SCHEMBL1401278 0.76 CTSK (0.57) CTSKCYP1A2CYP2C9CYP2C19HTT
Hydrochloric Acid SCHEMBL4902819 0.76 L3MBTL1 (0.36) TACR1CYP1A2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080033033-A1 8-AZAPROSTAGLANDIN DERIVATIVES AND MEDICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. 2008-02-07 US disclosed
US-7256211-B1 8-azaprostaglandin derivatives and medical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-08-14 US disclosed
EP-1586564-A1 8-AZAPROSTAGLANDIN DERIVATIVES AND MEDICINAL USES THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2005-10-19 EP 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 (1 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-20080033033-A1 8-AZAPROSTAGLANDIN DERIVATIVES AND MEDICAL USE THEREOF HPGDS, PTGIS, PTGER4 CTSK 903/4885TACR1 1737/4885CYP1A2 837/4885

“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.