SCHEMBL2532600

SCHEMBL2532600

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

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MMP9 P14780 1/20 0.36
ALOX15 P16050 1/20 0.36
TP53 P04637 1/20 0.31

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
SCHEMBL15015471 0.86 KDM4E (0.38) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL2531201 0.80 ATM (0.43) ATML3MBTL1TSHRCYP1A2CYP2C9
SCHEMBL7922287 0.80 ATM (0.43) ATML3MBTL1TSHRCYP1A2CYP2C9
SCHEMBL2534513 0.75 TSHR (0.44) ATML3MBTL1TSHRCYP1A2CYP2C9
SCHEMBL7923852 0.75 TSHR (0.44) ATML3MBTL1TSHRCYP1A2CYP2C9
SCHEMBL2534518 0.75 TSHR (0.44) ATML3MBTL1TSHRCYP1A2CYP2C9
SCHEMBL12243364 0.74 KDM4E (0.39) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL7102510 0.74 ATM (0.47) ATML3MBTL1TSHRCYP1A2CYP2C9
SCHEMBL12221717 0.74 ATM (0.47) ATML3MBTL1TSHRCYP1A2CYP2C9
SCHEMBL12699020 0.71 ATM (0.44) ATML3MBTL1TSHRCYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2376447-B1 DIPEPTIDYL PEPTIDASE IV INHIBITORS ORCHID PHARMA LTD (IN) 2017-08-09 EP disclosed
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

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-20110257164-A1 DIPEPTIDYL PEPTIDASE IV INHIBITORS DPP4, DPP7, DPP3 ATM 4084/4885L3MBTL1 3513/4885TSHR 1137/4885

“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.