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SCHEMBL2531868

SCHEMBL2531868

CC(C)(C)OC(=O)N[C@]1(C)CC[C@H](C(=O)O)C1(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 1/20 0.43
▸ SLC1A2 P43004 1/20 0.38
▸ SLC1A1 P43005 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ GAA P10253 2/20 0.33
▸ EPHX1 P07099 1/20 0.33
▸ PSEN1 P49768 1/20 0.32
▸ PSEN2 P49810 1/20 0.32
▸ APH1B Q8WW43 1/20 0.32
▸ NCSTN Q92542 1/20 0.32
▸ APH1A Q96BI3 1/20 0.32
▸ PSENEN Q9NZ42 1/20 0.32
▸ CTSK P43235 3/20 0.32
▸ CTSS P25774 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ NFKB2 Q00653 1/20 0.32
▸ RELA Q04206 1/20 0.32

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
SCHEMBL2533042 1.00 BTK (0.43) BTKSLC1A2SLC1A1ALDH1A1KMT2A
SCHEMBL2483020 1.00 BTK (0.43) BTKSLC1A2SLC1A1ALDH1A1KMT2A
SCHEMBL7914534 0.88 ATM (0.41) BTKALDH1A1KMT2AMEN1MAPK1
SCHEMBL2530218 0.88 ATM (0.41) BTKALDH1A1KMT2AMEN1MAPK1
SCHEMBL2530331 0.88 ATM (0.41) BTKALDH1A1KMT2AMEN1MAPK1
SCHEMBL19226204 0.83 KMT2A (0.37) BTKALDH1A1KMT2AMEN1MAPK1
SCHEMBL16386156 0.83 KMT2A (0.37) BTKALDH1A1KMT2AMEN1MAPK1
SCHEMBL7922081 0.81 KMT2A (0.36) BTKALDH1A1KMT2AMEN1MAPK1
SCHEMBL2513926 0.81 HPGD (0.45) ALDH1A1KMT2AMEN1GAAEPHX1
SCHEMBL12221725 0.79 KMT2A (0.35) BTKALDH1A1KMT2AMEN1MAPK1

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 8 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 claimed
US-20110257164-A1 DIPEPTIDYL PEPTIDASE IV INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2011-10-20 — — US claimed
EP-2376447-B1 DIPEPTIDYL PEPTIDASE IV INHIBITORS ORCHID PHARMA LTD (IN) 2017-08-09 — — EP disclosed
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 BTK 3143/4885SLC1A2 1154/4885SLC1A1 928/4885

“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.