SCHEMBL24677513

SCHEMBL24677513

CC[C@H](N[S@@+]([O-])C(C)(C)C)c1cccc(C#N)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 11/20 0.36
S1PR1 P21453 2/20 0.36
CNR2 P34972 8/20 0.35
ALDH1A1 P00352 2/20 0.34
TSHR P16473 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
LMNA P02545 1/20 0.34
CRHBP P24387 1/20 0.34
HTT P42858 1/20 0.34
CRHR2 Q13324 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KCNA5 P22460 1/20 0.34
BCDIN3D Q7Z5W3 1/20 0.34
KCNK3 O14649 1/20 0.33
GAA P10253 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL18921688 1.00 CNR1 (0.36) CNR1S1PR1CNR2ALDH1A1TSHR
SCHEMBL28725725 1.00 CNR1 (0.36) CNR1S1PR1CNR2ALDH1A1TSHR
SCHEMBL21507538 0.86 HSD11B1 (0.37) CNR1S1PR1CNR2ALDH1A1KCNA5
SCHEMBL21507537 0.85 SMN1; SMN2 (0.35) CNR1S1PR1CNR2ALDH1A1TSHR
SCHEMBL11891925 0.82 CNR1 (0.38) CNR1S1PR1CNR2ALDH1A1
SCHEMBL11025676 0.82 CNR1 (0.38) CNR1S1PR1CNR2ALDH1A1
SCHEMBL28934713 0.82 CNR1 (0.38) CNR1S1PR1CNR2ALDH1A1
SCHEMBL24682843 0.82 CNR1 (0.38) CNR1S1PR1CNR2ALDH1A1
SCHEMBL30439393 0.82 CNR1 (0.38) CNR1S1PR1CNR2ALDH1A1
SCHEMBL30268869 0.82 CNR1 (0.38) CNR1S1PR1CNR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220315569-A1 APELIN RECEPTOR AGONISTS AND METHODS OF USE BRISTOL MYERS SQUIBB CO (US) 2022-10-06 US disclosed
CN-108473466-B Apelin receptor agonists and methods of use 百时美施贵宝公司 2022-04-19 CN 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-20220315569-A1 APELIN RECEPTOR AGONISTS AND METHODS OF USE APLNR, AP2B1, AP3B1 CNR1 97/4885S1PR1 372/4885CNR2 146/4885

“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.