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SCHEMBL1759697

SCHEMBL1759697

COC(=O)C1CN(C(=O)OC(C)(C)C)CC1C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 4/20 0.53
▸ NR1H2 P55055 1/20 0.45
▸ USP2 O75604 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ EPHX1 P07099 1/20 0.39
▸ NAMPT P43490 1/20 0.39
▸ USP30 Q70CQ3 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ RORC P51449 1/20 0.38
▸ TACR1 P25103 1/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ GPR119 Q8TDV5 1/20 0.37

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
SCHEMBL13595122 1.00 PDE4B (0.53) PDE4BNR1H2USP2SMN1; SMN2EPHX1
SCHEMBL22160615 1.00 PDE4B (0.53) PDE4BNR1H2USP2SMN1; SMN2EPHX1
SCHEMBL8301285 1.00 PDE4B (0.53) PDE4BNR1H2USP2SMN1; SMN2EPHX1
SCHEMBL8268416 1.00 PDE4B (0.53) PDE4BNR1H2USP2SMN1; SMN2EPHX1
SCHEMBL18725620 0.93 PDE4B (0.58) PDE4BNR1H2USP2SMN1; SMN2EPHX1
SCHEMBL22160718 0.93 PDE4B (0.58) PDE4BNR1H2USP2SMN1; SMN2EPHX1
SCHEMBL22160720 0.93 PDE4B (0.58) PDE4BNR1H2USP2SMN1; SMN2EPHX1
SCHEMBL1051376 0.90 NR1H2 (0.53) PDE4BNR1H2USP2SMN1; SMN2EPHX1
SCHEMBL6065186 0.90 NR1H2 (0.53) PDE4BNR1H2USP2SMN1; SMN2EPHX1
SCHEMBL1052921 0.90 NR1H2 (0.53) PDE4BNR1H2USP2SMN1; SMN2EPHX1

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
CN-118307534-A LTA4H inhibitors and uses thereof 上海海雁医药科技有限公司 2024-07-09 — — CN disclosed
CN-109641878-B DIPROVOCIM: effective TLR agonist 斯克里普斯研究学院 2021-09-14 — — CN disclosed
US-11040959-B2 Diprovocims: a new and potent class of TLR agonists THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-06-22 — — US disclosed
EP-3445758-B1 DIPROVOCIMS: A NEW AND POTENT CLASS OF TLR AGONISTS SCRIPPS RESEARCH INST (US) 2020-11-04 — — EP disclosed
US-20200207742-A1 DIPROVOCIMS: A NEW AND POTENT CLASS OF TLR AGONISTS THE SCRIPPS RESEARCH INSTITUTE 2020-07-02 — — US disclosed
US-20110118314-A1 PIPERIDINE ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS YUN WEIYA 2011-05-19 — — US disclosed
WO-2011058122-A1 PIPERIDINE ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-05-19 — — 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 (3 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-20200207742-A1 DIPROVOCIMS: A NEW AND POTENT CLASS OF TLR AGONISTS TLR1, TLR4, TLR2 PDE4B 664/4885NR1H2 60/4885USP2 3918/4885
US-20110118314-A1 PIPERIDINE ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS GYS2, GYS1, PYGL PDE4B 428/4885NR1H2 321/4885USP2 3145/4885
US-11040959-B2 Diprovocims: a new and potent class of TLR agonists TLR1, TLR4, TLR2 PDE4B 598/4885NR1H2 50/4885USP2 3780/4885

“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.