SCHEMBL27417844

SCHEMBL27417844

C=C(NCC)N[C@H]1CCc2sc(NC(=O)C3CC3)c(C(=O)NCC3CC3)c2C1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.43
CNR1 P21554 5/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
REV1 Q9UBZ9 3/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
HSD17B10 Q99714 1/20 0.40
FLT3 P36888 1/20 0.39
KMT2A Q03164 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL27417408 1.00 CNR2 (0.43) CNR2CNR1CYP1A2CYP2C9REV1
SCHEMBL21597118 0.91 CNR2 (0.45) CNR2CNR1CYP1A2CYP2C9REV1
SCHEMBL21603674 0.89 CNR2 (0.47) CNR2CNR1CYP1A2CYP2C9REV1
SCHEMBL21597130 0.89 CNR2 (0.43) CNR2CNR1CYP1A2CYP2C9REV1
SCHEMBL27418050 0.89 FLT3 (0.47) CNR2CNR1REV1KDM4EMAPT
SCHEMBL21597123 0.88 CNR2 (0.48) CNR2CNR1CYP1A2CYP2C9REV1
SCHEMBL27417740 0.86 CNR2 (0.43) CNR2CNR1REV1KDM4EMAPT
SCHEMBL21597811 0.85 CNR2 (0.48) CNR2CNR1CYP1A2CYP2C9REV1
SCHEMBL21597793 0.85 CNR2 (0.41) CNR2CNR1CYP1A2CYP2C9REV1
SCHEMBL21597090 0.85 CNR2 (0.41) CNR2CNR1CYP1A2CYP2C9REV1

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-12018021-B2 Thiophene derivatives for the treatment of disorders caused by IgE UCB Biopharma SRL (BE) 2024-06-25 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-12018021-B2 Thiophene derivatives for the treatment of disorders caused by IgE TSLP, CYSLTR1, CYSLTR2 CNR2 1326/4885CNR1 823/4885CYP1A2 329/4885

“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.