SCHEMBL6186427

SCHEMBL6186427

COC(=O)[C@H]1C[C@@H](C(=O)O)CN1C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
BTK Q06187 1/20 0.41
MMP2 P08253 3/20 0.41
ANPEP P15144 2/20 0.41
NR1H2 P55055 2/20 0.40
NR1H3 Q13133 1/20 0.40
PTPN1 P18031 1/20 0.40
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTRA1 Q92743 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
ALDH1A1 P00352 1/20 0.35
P2RX3 P56373 1/20 0.35
PDE4B Q07343 1/20 0.34
UCHL1 P09936 1/20 0.34

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
SCHEMBL6121804 1.00 HSD17B10 (0.45) HSD17B10SMN1; SMN2BTKMMP2ANPEP
SCHEMBL21527750 1.00 HSD17B10 (0.45) HSD17B10SMN1; SMN2BTKMMP2ANPEP
SCHEMBL21430191 1.00 HSD17B10 (0.45) HSD17B10SMN1; SMN2BTKMMP2ANPEP
SCHEMBL6121812 1.00 HSD17B10 (0.45) HSD17B10SMN1; SMN2BTKMMP2ANPEP
SCHEMBL6122332 0.91 MMP2 (0.43) HSD17B10SMN1; SMN2MMP2ANPEPNR1H2
SCHEMBL6122335 0.91 MMP2 (0.43) HSD17B10SMN1; SMN2MMP2ANPEPNR1H2
SCHEMBL19853313 0.91 MMP2 (0.43) HSD17B10SMN1; SMN2MMP2ANPEPNR1H2
SCHEMBL3194210 0.91 HSD17B10 (0.47) HSD17B10SMN1; SMN2BTKNR1H2CYP1A2
SCHEMBL13481736 0.91 HSD17B10 (0.47) HSD17B10SMN1; SMN2BTKNR1H2CYP1A2
SCHEMBL1198433 0.91 HSD17B10 (0.47) HSD17B10SMN1; SMN2BTKNR1H2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220305011-A1 FACTOR XIIA INHIBITORS UNIVERSITY OF LEEDS (GB) 2022-09-29 US disclosed
CN-112165938-A Factor XIIA inhibitors 利兹大学 2021-01-01 CN disclosed
US-20050256166-A1 Nitrogen-containing compounds ONO PHARMACEUTICAL CO., LTD. (JP) 2005-11-17 US disclosed
EP-1535906-A1 NITROGEN-CONTAINING COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2005-06-01 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-20050256166-A1 Nitrogen-containing compounds DPP4, DPP3, DPP8 HSD17B10 350/4885SMN1; SMN2 2717/4885BTK 4338/4885
US-20220305011-A1 FACTOR XIIA INHIBITORS F11, F13B, F12 HSD17B10 1103/4885SMN1; SMN2 3942/4885BTK 426/4885

“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.