SCHEMBL16853641

SCHEMBL16853641

C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1OS(C)(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.43
GPR119 Q8TDV5 8/20 0.43
RECQL P46063 1/20 0.42
EPHX1 P07099 1/20 0.42
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
STS P08842 3/20 0.39

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
SCHEMBL13934314 1.00 HPGD (0.43) HPGDGPR119RECQLEPHX1MEN1
SCHEMBL12035651 1.00 HPGD (0.43) HPGDGPR119RECQLEPHX1MEN1
SCHEMBL13379071 0.90 HPGD (0.44) HPGDGPR119RECQLEPHX1MEN1
SCHEMBL4267063 0.90 HPGD (0.44) HPGDGPR119RECQLEPHX1MEN1
SCHEMBL2936192 0.90 HPGD (0.44) HPGDGPR119RECQLEPHX1MEN1
SCHEMBL12096414 0.90 HPGD (0.44) HPGDGPR119RECQLEPHX1MEN1
SCHEMBL38664069 0.89 HPGD (0.43) HPGDGPR119RECQLEPHX1MEN1
SCHEMBL17517713 0.87 NR1H2 (0.44) HPGDGPR119RECQLEPHX1MEN1
SCHEMBL18157116 0.87 NR1H2 (0.44) HPGDGPR119RECQLEPHX1MEN1
SCHEMBL17958865 0.87 NR1H2 (0.44) HPGDGPR119RECQLEPHX1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208997-A1 CYCLIC BENZIMIDAZOLE DERIVATIVES AS CGAS INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2024-06-27 US disclosed
US-20240208997-A1 CYCLIC BENZIMIDAZOLE DERIVATIVES AS CGAS INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2024-06-27 US disclosed
WO-2015092610-A1 N-ACYLPIPERIDINE ETHER TROPOMYOSIN-RELATED KINASE INHIBITORS PFIZER LIMITED (GB) 2015-06-25 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-20240208997-A1 CYCLIC BENZIMIDAZOLE DERIVATIVES AS CGAS INHIBITORS CGAS, STING1, IFNAR1 HPGD 942/4885GPR119 926/4885RECQL 24/4885

“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.