SCHEMBL7239303

SCHEMBL7239303

CCOC(=O)COc1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)OCc2ccccc2)cc1CC(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.48
PTPN1 P18031 3/20 0.46
PPARG P37231 1/20 0.45
MBTPS1 Q14703 1/20 0.44
PPARA Q07869 1/20 0.43
SCN9A Q15858 1/20 0.43
ACE P12821 1/20 0.43
CTSS P25774 4/20 0.42
CTSB P07858 3/20 0.42
CTSK P43235 3/20 0.42
KLK5 Q9Y337 1/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
CTSL P07711 1/20 0.42

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
SCHEMBL7239314 1.00 TACR1 (0.48) TACR1PTPN1PPARGMBTPS1PPARA
SCHEMBL6573594 0.91 PTPN1 (0.49) TACR1PTPN1MBTPS1PPARAACE
SCHEMBL7249306 0.91 TACR1 (0.46) TACR1PTPN1PPARGMBTPS1PPARA
SCHEMBL7241770 0.91 TACR1 (0.46) TACR1PTPN1PPARGMBTPS1PPARA
SCHEMBL7247047 0.90 TACR1 (0.46) TACR1PTPN1PPARGMBTPS1PPARA
SCHEMBL7247050 0.90 TACR1 (0.46) TACR1PTPN1PPARGMBTPS1PPARA
SCHEMBL7241667 0.89 PTPN1 (0.48) PTPN1PPARGPPARAACECTSS
SCHEMBL7241660 0.89 PTPN1 (0.48) PTPN1PPARGPPARAACECTSS
SCHEMBL7240686 0.89 PTPN1 (0.47) TACR1PTPN1MBTPS1PPARAACE
SCHEMBL7240680 0.89 PTPN1 (0.47) TACR1PTPN1MBTPS1PPARAACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6573295-B2 Treating proliferative diseases, cancer, restenosis, osteoporosis, inflammation, aIlergies, or cardiovascular disease. ARIAD PHARMACEUTICALS, INC. 2003-06-03 US disclosed
US-6482852-B2 UE TREATING PROLIFERATIVE DISEASE, CANCER, RESTENOSIS, OSTEOPOROSIS, INFLAMMATION, ALLERGIES, OR CARDIOVASCULAR DISEASE; INHIBITION OF SH2-MEDIATED SIGNALING ARIAD PHARMACEUTICALS, INC. 2002-11-19 US disclosed
US-20020137941-A1 Ue treating proliferative disease, cancer, restenosis, osteoporosis, inflammation, allergies, or cardiovascular disease; inhibition of SH2-mediated signaling ARIAD PHARMACEUTICALS, INC. 2002-09-26 US disclosed
US-20020062031-A1 Bicyclic signal transduction inhibitors, compositions containing them & uses thereof SHAKESPEARE WILLIAM C (US) 2002-05-23 US disclosed
EP-1129068-A1 BICYCLIC SIGNAL TRANSDUCTION INHIBITORS, COMPOSITION CONTAINING THEM AND USES THEREOF ARIAD PHARMACEUTICALS, INC. (US) 2001-09-05 EP disclosed
WO-2000027802-A1 BICYCLIC SIGNAL TRANSDUCTION INHIBITORS, COMPOSITIONS CONTAINING THEM & USES THEREOF ARIAD PHARMACEUTICALS, INC. (US) 2000-05-18 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 (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-20020062031-A1 Bicyclic signal transduction inhibitors, compositions containing them & uses thereof ACP1, SRC, PPM1G TACR1 3620/4885PTPN1 99/4885PPARG 4368/4885
US-20020137941-A1 Ue treating proliferative disease, cancer, restenosis, osteoporosis, inflammation, allergies, or cardiovascular disease; inhibition of SH2-mediated signaling GRB2, LCK, PTK2 TACR1 1577/4885PTPN1 55/4885PPARG 1807/4885

“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.