Sugi Predict

Sugi Predict / Compounds / SCHEMBL7102510

SCHEMBL7102510

SCHEMBL7102510

COC(=O)[C@H]1CC[C@@](C)(CO)C1(C)C

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ OPRK1 P41145 8/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ POLB P06746 1/20 0.30
▸ LMNA P02545 1/20 0.30

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
SCHEMBL12221717 1.00 ATM (0.47) ATML3MBTL1CYP1A2CYP2C9TSHR
SCHEMBL7922287 0.83 ATM (0.43) ATML3MBTL1CYP1A2CYP2C9TSHR
SCHEMBL2531201 0.83 ATM (0.43) ATML3MBTL1CYP1A2CYP2C9TSHR
SCHEMBL12699020 0.83 ATM (0.44) ATML3MBTL1CYP1A2CYP2C9TSHR
SCHEMBL2534513 0.80 TSHR (0.44) ATML3MBTL1CYP1A2CYP2C9TSHR
SCHEMBL2534518 0.80 TSHR (0.44) ATML3MBTL1CYP1A2CYP2C9TSHR
SCHEMBL7923852 0.80 TSHR (0.44) ATML3MBTL1CYP1A2CYP2C9TSHR
SCHEMBL2534918 0.79 SLC1A2 (0.42) L3MBTL1ALDH1A1POLBLMNA
SCHEMBL25640907 0.79 ATM (0.31) ATML3MBTL1
SCHEMBL26160612 0.78 ACHE (0.32) ATML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8466145-B2 Dipeptidyl peptidase IV inhibitors ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2013-06-18 — — US disclosed
US-8466145-B2 Dipeptidyl peptidase IV inhibitors ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2013-06-18 — — US disclosed
US-20110257164-A1 DIPEPTIDYL PEPTIDASE IV INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2011-10-20 — — US disclosed
US-20110257164-A1 DIPEPTIDYL PEPTIDASE IV INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2011-10-20 — — US disclosed
EP-0991619-B1 INHIBITORS OF ALPHA 4-BETA 1 MEDIATED CELL ADHESION TANABE SEIYAKU CO (JP) 2003-09-10 — — EP disclosed
US-6596752-B1 Small molecules that are potent inhibitors of alpha 4 beta 1 mediated adhesion to either VCAM or CS-1 and which could be useful for the treatment of inflammatory diseases. TANABE SEIYAKU CO., LTD. (JP) 2003-07-22 — — US disclosed
US-20030130349-A1 Inhibitors of alpha 4beta1 mediated cell adhesion TANABE SEIYAKU CO., LTD. 2003-07-10 — — 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-20030130349-A1 Inhibitors of alpha 4beta1 mediated cell adhesion VCAM1, ICAM1, ITGB1 ATM 4645/4885L3MBTL1 1105/4885CYP1A2 1888/4885
US-20110257164-A1 DIPEPTIDYL PEPTIDASE IV INHIBITORS DPP4, DPP7, DPP3 ATM 4084/4885L3MBTL1 3513/4885CYP1A2 429/4885

“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.