SCHEMBL18797553

SCHEMBL18797553

CC(C)(C)OC(=O)CC1CC1CSc1nc2ccccc2s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.51
LMNA P02545 4/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 7/20 0.49
MAPT P10636 5/20 0.49
CTSK P43235 1/20 0.48
RECQL P46063 2/20 0.48
POLB P06746 2/20 0.48
APEX1 P27695 1/20 0.48
SMN1; SMN2 Q16637 6/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
HTT P42858 3/20 0.46
ALOX5 P09917 3/20 0.46
MAPK1 P28482 3/20 0.46
HSD17B10 Q99714 2/20 0.46
TSHR P16473 1/20 0.46
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44

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
SCHEMBL20565781 1.00 HPGD (0.51) HPGDLMNAKDM4EALDH1A1MAPT
SCHEMBL18797509 0.83 ALDH1A1 (0.59) HPGDALDH1A1MAPTCTSKRECQL
SCHEMBL18797510 0.83 ALDH1A1 (0.59) HPGDALDH1A1MAPTCTSKRECQL
SCHEMBL11955419 0.81 ALDH1A1 (0.46) HPGDLMNAKDM4EALDH1A1MAPT
SCHEMBL19385934 0.81 HPGD (0.69) HPGDLMNAKDM4EALDH1A1MAPT
SCHEMBL26097035 0.75 ALDH1A1 (0.48) HPGDLMNAKDM4EALDH1A1MAPT
SCHEMBL26505371 0.75 ALDH1A1 (0.48) HPGDLMNAKDM4EALDH1A1MAPT
SCHEMBL1834024 0.71 MAPT (0.46) HPGDLMNAKDM4EALDH1A1MAPT
SCHEMBL1834020 0.71 MAPT (0.46) HPGDLMNAKDM4EALDH1A1MAPT
SCHEMBL3606682 0.71 MAPT (0.46) HPGDLMNAKDM4EALDH1A1MAPT

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
EP-3368036-B1 MACROCYCLIC PYRIDINE-N-OXIDE DERIVATIVES AS FACTOR XIA INHIBITORS MERCK SHARP & DOHME LLC (US) 2022-07-20 EP disclosed
US-20180339977-A1 FACTOR XIA INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-11-29 US disclosed
EP-3368036-A1 FACTOR XIA INHIBITORS Merck Sharp & Dohme Corp. (US) 2018-09-05 EP disclosed
WO-2017074832-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-05-04 WO 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-20180339977-A1 FACTOR XIA INHIBITORS F11, SERPINC1, TFPI HPGD 1374/4885LMNA 386/4885KDM4E 454/4885

“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.