SCHEMBL2543692

SCHEMBL2543692

COC(=O)c1ccccc1SC1CCC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.51
POLB P06746 2/20 0.51
ALDH1A1 P00352 7/20 0.51
HPGD P15428 6/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
KDM4E B2RXH2 8/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CRBN Q96SW2 1/20 0.47
TSHR P16473 4/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 3/20 0.46
CFTR P13569 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
RECQL P46063 1/20 0.44
ATM Q13315 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
PKLR P30613 1/20 0.43
GAA P10253 1/20 0.42
ALOX12 P18054 1/20 0.41

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
SCHEMBL1018224 0.97 ALDH1A1 (0.51) HSD17B10POLBALDH1A1HPGDL3MBTL1
SCHEMBL7864561 0.80 KDM4E (0.53) HSD17B10POLBALDH1A1HPGDL3MBTL1
SCHEMBL7864562 0.80 KDM4E (0.53) HSD17B10POLBALDH1A1HPGDL3MBTL1
SCHEMBL8741664 0.80 KDM4E (0.53) HSD17B10POLBALDH1A1HPGDL3MBTL1
SCHEMBL7864560 0.80 KDM4E (0.53) HSD17B10POLBALDH1A1HPGDL3MBTL1
SCHEMBL2543828 0.80 POLB (0.55) HSD17B10POLBALDH1A1L3MBTL1MAPT
SCHEMBL2538350 0.79 SIRT1 (0.50) HSD17B10POLBALDH1A1HPGDKDM4E
SCHEMBL9114959 0.77 KDM4E (0.49) HSD17B10POLBALDH1A1HPGDL3MBTL1
SCHEMBL19617767 0.77 POLB (0.55) HSD17B10POLBALDH1A1HPGDL3MBTL1
SCHEMBL4440485 0.76 HSD17B10 (0.64) HSD17B10POLBALDH1A1L3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044242-B2 2-(aryloxy) acetamide factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-25 US disclosed
US-20090131473-A1 2-(ARYLOXY) ACETAMIDE FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2009-05-21 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-20090131473-A1 2-(ARYLOXY) ACETAMIDE FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F7, F9, F12 HSD17B10 2136/4885POLB 3662/4885ALDH1A1 1597/4885

“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.