SCHEMBL31486754

SCHEMBL31486754

COC(=O)C[C@](C)(NC(=O)OC(C)(C)C)c1cccc(-c2ccc(F)cc2F)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
CHRM3 P20309 2/20 0.35
AAK1 Q2M2I8 7/20 0.34
RORC P51449 2/20 0.33
CCNT1 O60563 1/20 0.33
MAPK14 Q16539 1/20 0.33
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
CNR1 P21554 1/20 0.32
CTSA P10619 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL25386930 0.91 RORC (0.35) CHRM3AAK1RORCCTSSCTSK
SCHEMBL25386927 0.91 RORC (0.35) CHRM3AAK1RORCCTSSCTSK
SCHEMBL31486685 0.81 CTSL (0.38) SMN1; SMN2CHRM3RORCALDH1A1
Hydrochloric Acid SCHEMBL25387402 0.81 SMN1; SMN2 (0.39) SMN1; SMN2CHRM3MAPK14NPC1MAPT
SCHEMBL31486781 0.78 DRD2 (0.32) AAK1POLB
SCHEMBL31486571 0.78 AAK1 (0.32) AAK1POLB
SCHEMBL21677304 0.77 LMNA (0.40) SMN1; SMN2AAK1CTSSCTSKPOLB
SCHEMBL18683051 0.77 LMNA (0.40) SMN1; SMN2AAK1CTSSCTSKPOLB
SCHEMBL31486798 0.75 AAK1 (0.37) AAK1
SCHEMBL25386552 0.71 CTSL (0.40) SMN1; SMN2CHRM3RORCCTSAALDH1A1

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-20250134890-A1 ANTIMALARIAL HEXAHYDROPYRIMIDINE ANALOGUES UCB Biopharma SRL (BE) 2025-05-01 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-20250134890-A1 ANTIMALARIAL HEXAHYDROPYRIMIDINE ANALOGUES G6PD, DPYD, DHFR SMN1; SMN2 3197/4885CHRM3 4657/4885AAK1 2882/4885

“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.