SCHEMBL3254458

SCHEMBL3254458

CC(C)(C)OC(=O)N1CCC(O)(C2CCCCC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.54
HPGD P15428 1/20 0.52
USP2 O75604 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
RECQL P46063 1/20 0.43
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
EPHX2 P34913 1/20 0.42
GPR119 Q8TDV5 7/20 0.41
KDM4E B2RXH2 1/20 0.40
THRB P10828 1/20 0.40
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN6 P29350 1/20 0.40
ABL1 P00519 1/20 0.40
RIN1 Q13671 1/20 0.40
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40

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
SCHEMBL26665784 0.95 HPGD (0.50) EPHX1HPGDUSP2SMN1; SMN2RECQL
SCHEMBL26665781 0.92 HPGD (0.49) EPHX1HPGDUSP2SMN1; SMN2RECQL
SCHEMBL32671899 0.87 ATM (0.49) EPHX1HPGDUSP2SMN1; SMN2MAPT
SCHEMBL23249884 0.86 HPGD (0.53) EPHX1HPGDUSP2SMN1; SMN2RECQL
SCHEMBL23783193 0.85 HPGD (0.43) EPHX1HPGDUSP2SMN1; SMN2RECQL
SCHEMBL1310249 0.84 EPHX1 (0.49) EPHX1HPGDUSP2SMN1; SMN2RECQL
SCHEMBL6507267 0.84 EPHX1 (0.52) EPHX1HPGDUSP2SMN1; SMN2RECQL
SCHEMBL23439145 0.83 EPHX1 (0.51) EPHX1HPGDUSP2SMN1; SMN2RECQL
SCHEMBL4609802 0.82 EPHX1 (0.51) EPHX1HPGDUSP2SMN1; SMN2RECQL
SCHEMBL6132692 0.82 EPHX1 (0.51) EPHX1HPGDUSP2SMN1; SMN2RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230340011-A1 STEROIDAL COMPOSITIONS AND METHODS OF TREATING LIPOGENIC CANCERS Asteroid Therapeutics 2023-10-26 US disclosed
US-20230340011-A1 STEROIDAL COMPOSITIONS AND METHODS OF TREATING LIPOGENIC CANCERS Asteroid Therapeutics 2023-10-26 US disclosed
CN-101973998-A Pyrrolopyrimidine A2b selective antagonist compounds, their synthesis and use OSI PHARM INC 2011-02-16 CN disclosed
EP-1467995-B1 PYRROLOPYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARM INC (US) 2010-05-19 EP disclosed
US-7645754-B2 Pyrrolopyrimidine A2B selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. (US) 2010-01-12 US disclosed
US-20080261943-A1 PYRROLOPYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARMACEUTICALS, INC. (US) 2008-10-23 US disclosed
CN-1816551-A Pyrrolopyrimidine A2bSelective antagonist compounds, their synthesis and use OSI PHARM INC (US) 2006-08-09 CN disclosed
EP-1467995-A4 PYRROLOPYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARM INC (US) 2005-12-07 EP disclosed
US-6884774-B2 Cyclic hexapeptide derivatives FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-04-26 US disclosed
EP-1259535-B1 CYCLIC HEXAPEPTIDE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2005-04-13 EP disclosed
EP-1467995-A2 PYRROLOPYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI Pharmaceuticals, Inc. (US) 2004-10-20 EP disclosed
US-20030229067-A1 Pyrrolopyrimidine A2b selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. 2003-12-11 US disclosed
WO-2003053361-A2 PYRROLOPYRIMIDINE A2b SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARMACEUTICALS, INC. (US) 2003-07-03 WO disclosed
US-20030083238-A1 Cyclic hexapeptide derivatives ASTELLAS PHARMA INC. (JP) 2003-05-01 US disclosed
EP-1259535-A1 CYCLIC HEXAPEPTIDE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-27 EP disclosed
WO-2001060846-A1 CYCLIC HEXAPEPTIDE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-23 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 (4 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-20080261943-A1 PYRROLOPYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE NR0B2, NR0B1, ADORA2B EPHX1 1640/4885HPGD 1689/4885USP2 4541/4885
US-20030229067-A1 Pyrrolopyrimidine A2b selective antagonist compounds, their synthesis and use ADORA2B, OXER1, CNR1 EPHX1 1268/4885HPGD 1856/4885USP2 4220/4885
US-20030083238-A1 Cyclic hexapeptide derivatives NGLY1, ALG1, CHIT1 EPHX1 4254/4885HPGD 3020/4885USP2 4462/4885
US-20230340011-A1 STEROIDAL COMPOSITIONS AND METHODS OF TREATING LIPOGENIC CANCERS SREBF1, SREBF2, NR1H3 EPHX1 842/4885HPGD 987/4885USP2 2291/4885

“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.