SCHEMBL24868009

SCHEMBL24868009

CO[C@]1(C#N)C[C@H](C(=O)O)C1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.45
CYP2C19 P33261 1/20 0.43
PDE4A P27815 7/20 0.38
PDE4B Q07343 7/20 0.38
PDE4C Q08493 7/20 0.38
PDE4D Q08499 7/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL24867750 1.00 APLNR (0.45) APLNRCYP2C19PDE4APDE4BPDE4C
SCHEMBL24807965 1.00 APLNR (0.45) APLNRCYP2C19PDE4APDE4BPDE4C
SCHEMBL3632875 0.72 APLNR (0.54) APLNRCYP2C19KDM4EALDH1A1CYP1A2
SCHEMBL19284443 0.70 APLNR (0.58) APLNRCYP2C19KDM4EALDH1A1CYP1A2
SCHEMBL19284442 0.70 APLNR (0.58) APLNRCYP2C19KDM4EALDH1A1CYP1A2
SCHEMBL25053895 0.70
SCHEMBL24868336 0.70 CYP2C19 (0.50) APLNRCYP2C19PDE4APDE4BPDE4C
SCHEMBL9955907 0.68 APLNR (0.50) APLNRCYP2C19KDM4EALDH1A1CYP1A2
SCHEMBL24868406 0.68 CYP2C19 (0.48) APLNRCYP2C19PDE4APDE4BPDE4C
SCHEMBL17586694 0.68 APLNR (0.56) APLNRCYP2C19PDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912686-B2 LPA receptor antagonists and uses thereof GILEAD SCIENCES, INC. (US) 2024-02-27 US disclosed
US-11912686-B2 LPA receptor antagonists and uses thereof GILEAD SCIENCES, INC. (US) 2024-02-27 US disclosed
US-20230212151-A1 LPA RECEPTOR ANTAGONISTS AND USES THEREOF GILEAD SCIENCES, INC. 2023-07-06 US disclosed
US-20230212151-A1 LPA RECEPTOR ANTAGONISTS AND USES THEREOF GILEAD SCIENCES, INC. 2023-07-06 US disclosed
US-11584738-B2 LPA receptor antagonists and uses thereof GILEAD SCIENCES, INC. (US) 2023-02-21 US disclosed
US-20230012262-A1 LPA RECEPTOR ANTAGONISTS AND USES THEREOF GILEAD SCIENCES, INC. 2023-01-12 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 (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-11584738-B2 LPA receptor antagonists and uses thereof LPAR1, LPAR2, LPAR4 APLNR 103/4885CYP2C19 4398/4885PDE4A 1371/4885
US-20230212151-A1 LPA RECEPTOR ANTAGONISTS AND USES THEREOF LPAR1, LPAR2, LPAR4 APLNR 103/4885CYP2C19 4398/4885PDE4A 1371/4885
US-20230012262-A1 LPA RECEPTOR ANTAGONISTS AND USES THEREOF LPAR1, LPAR2, LPAR4 APLNR 103/4885CYP2C19 4398/4885PDE4A 1371/4885
US-11912686-B2 LPA receptor antagonists and uses thereof LPAR1, LPAR2, LPAR4 APLNR 103/4885CYP2C19 4398/4885PDE4A 1371/4885

“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.