SCHEMBL7914534

SCHEMBL7914534

COC(=O)C1CCC(C)(NC(=O)OC(C)(C)C)C1(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 2/20 0.33
BTK Q06187 1/20 0.33
GAA P10253 1/20 0.32
EPHX1 P07099 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
OPRM1 P35372 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
SCHEMBL2530218 1.00 ATM (0.41) ATML3MBTL1TSHRCYP1A2CYP2C9
SCHEMBL2530331 1.00 ATM (0.41) ATML3MBTL1TSHRCYP1A2CYP2C9
SCHEMBL2531868 0.88 BTK (0.43) MEN1KMT2AMAPK1ALDH1A1BTK
SCHEMBL2483020 0.88 BTK (0.43) MEN1KMT2AMAPK1ALDH1A1BTK
SCHEMBL2533042 0.88 BTK (0.43) MEN1KMT2AMAPK1ALDH1A1BTK
SCHEMBL16386156 0.80 KMT2A (0.37) MEN1KMT2AMAPK1ALDH1A1BTK
SCHEMBL19226204 0.80 KMT2A (0.37) MEN1KMT2AMAPK1ALDH1A1BTK
SCHEMBL7922081 0.79 KMT2A (0.36) MEN1KMT2AMAPK1ALDH1A1BTK
SCHEMBL2513926 0.79 HPGD (0.45) L3MBTL1MEN1KMT2AALDH1A1GAA
SCHEMBL17007311 0.77 BTK (0.35) 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
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 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.