SCHEMBL30467495

SCHEMBL30467495

COC(=O)CC(=O)N1[C@@H](CC(=O)OCc2ccccc2)CC[C@H]1C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 5/20 0.43
HTT P42858 2/20 0.42
CPB1 P15086 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 5/20 0.39
MAPT P10636 2/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP3A4 P08684 3/20 0.39
TSHR P16473 3/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTR2C P28335 1/20 0.39
MITF O75030 1/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 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
SCHEMBL25212021 0.92 HTT (0.43) FKBP1AHTTCPB1SMN1; SMN2NPC1
SCHEMBL30345251 0.84 HTT (0.44) FKBP1AHTTCPB1SMN1; SMN2NPC1
SCHEMBL31106346 0.84 HTT (0.44) FKBP1AHTTCPB1SMN1; SMN2NPC1
SCHEMBL25244077 0.79 OPRK1 (0.33) KMT2A
SCHEMBL9546447 0.78 HTR2C (0.57) FKBP1AHTTCPB1SMN1; SMN2NPC1
SCHEMBL25213110 0.77 ALDH1A1 (0.45) FKBP1ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL28782106 0.76 HTR2C (0.49) FKBP1AHTTCPB1SMN1; SMN2NPC1
SCHEMBL29816690 0.75 HTR2C (0.48) FKBP1AHTTCPB1SMN1; SMN2NPC1
SCHEMBL29816886 0.75 HTR2C (0.48) FKBP1AHTTCPB1SMN1; SMN2NPC1
SCHEMBL29816802 0.75 HTR2C (0.48) FKBP1AHTTCPB1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12545677-B2 Compounds useful as factor XIa inhibitors JANSSEN PHARMACEUTICA NV (BE) 2026-02-10 US disclosed
EP-4185587-B1 COMPOUNDS USEFUL AS FACTOR XIA INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2025-09-10 EP disclosed
CN-116133660-B Compounds useful as factor XIa inhibitors 詹森药业有限公司 2025-05-02 CN disclosed
US-20230312560-A1 COMPOUNDS USEFUL AS FACTOR XIA INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2023-10-05 US disclosed
EP-4185587-A1 COMPOUNDS USEFUL AS FACTOR XIA INHIBITORS JANSSEN Pharmaceutica NV (BE) 2023-05-31 EP 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 (2 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-20230312560-A1 COMPOUNDS USEFUL AS FACTOR XIA INHIBITORS F11, F2, KLKB1 FKBP1A 584/4885HTT 3234/4885CPB1 74/4885
US-12545677-B2 Compounds useful as factor XIa inhibitors F2, F11, F10 FKBP1A 192/4885HTT 2991/4885CPB1 59/4885

“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.