SCHEMBL24847147

SCHEMBL24847147

C[C@H](NC(=O)CCl)C1(O)CC1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.37
SMN1; SMN2 Q16637 6/20 0.37
LMNA P02545 4/20 0.37
HTT P42858 3/20 0.37
EPHX2 P34913 2/20 0.31
NCOA1 Q15788 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31
POLB P06746 1/20 0.30
CYP3A4 P08684 1/20 0.30
GAA P10253 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL24845862 0.83 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL4338671 0.78 MME (0.36) ALDH1A1EPHX2POLBCYP3A4GAA
SCHEMBL4339726 0.78 RXFP1 (0.36) ALDH1A1EPHX2POLBCYP3A4GAA
SCHEMBL4331086 0.76 RXFP1 (0.39) ALDH1A1LMNAEPHX2POLBCYP3A4
SCHEMBL228551 0.71
SCHEMBL16318985 0.69
SCHEMBL8352040 0.69
SCHEMBL4335597 0.68 MME (0.34) ALDH1A1CYP2C19
SCHEMBL4343673 0.68 CYP1A2 (0.33) ALDH1A1CYP2C19
SCHEMBL24186623 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230000878-A1 PYRIDINE DERIVATIVES WITH N-LINKED CYCLIC SUBSTITUENTS AS cGAS INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-01-05 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-20230000878-A1 PYRIDINE DERIVATIVES WITH N-LINKED CYCLIC SUBSTITUENTS AS cGAS INHIBITORS CGAS, GLS2, GMPS ALDH1A1 1112/4885SMN1; SMN2 2556/4885LMNA 640/4885

“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.