SCHEMBL7923852

SCHEMBL7923852

COC(=O)C1CCC(C)(CCC(=O)O)C1(C)C

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ATM Q13315 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 2/20 0.35
BLM P54132 1/20 0.35
OPRK1 P41145 7/20 0.32
ALDH1A1 P00352 2/20 0.32
OPRM1 P35372 1/20 0.32
POLB P06746 1/20 0.31
HIF1A Q16665 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
SCHEMBL2534518 1.00 TSHR (0.44) TSHRCYP1A2CYP2C9CYP2C19ATM
SCHEMBL2534513 1.00 TSHR (0.44) TSHRCYP1A2CYP2C9CYP2C19ATM
SCHEMBL12222099 0.81 ATM (0.39) TSHRCYP1A2CYP2C9CYP2C19ATM
SCHEMBL2531201 0.81 ATM (0.43) TSHRCYP1A2CYP2C9CYP2C19ATM
SCHEMBL7922287 0.81 ATM (0.43) TSHRCYP1A2CYP2C9CYP2C19ATM
SCHEMBL7102510 0.80 ATM (0.47) TSHRCYP1A2CYP2C9CYP2C19ATM
SCHEMBL12221717 0.80 ATM (0.47) TSHRCYP1A2CYP2C9CYP2C19ATM
SCHEMBL12699020 0.78 ATM (0.44) TSHRCYP1A2CYP2C9CYP2C19ATM
SCHEMBL2532600 0.75 ATM (0.38) TSHRCYP1A2CYP2C9CYP2C19ATM
SCHEMBL12221733 0.72 ATM (0.51) TSHRCYP1A2CYP2C9CYP2C19ATM

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
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
WO-2010079413-A2 DIPEPTIDYL PEPTIDASE IV INHIBITORS ORCHID RESEARCH LABORATORIES LTD. (IN) 2010-07-15 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 (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 TSHR 1137/4885CYP1A2 429/4885CYP2C9 186/4885

“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.