SCHEMBL17202719

SCHEMBL17202719

CCOC(=O)c1cccc(N2CCOCC2=O)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.53
ATM Q13315 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.51
PIK3CA P42336 1/20 0.47
CMA1 P23946 1/20 0.47
ALDH1A1 P00352 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 1/20 0.46
JMJD6 Q6NYC1 1/20 0.46
PRKDC P78527 1/20 0.46
F10 P00742 1/20 0.46
ALOX15 P16050 1/20 0.46
PRKCA P17252 1/20 0.46
GSK3B P49841 1/20 0.46
POLB P06746 1/20 0.45
MTOR P42345 1/20 0.45
TP53 P04637 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL4200577 0.85 ALDH1A1 (0.57) SMN1; SMN2CMA1ALDH1A1LMNAF10
SCHEMBL8698430 0.81 KMO (0.63) ALOX5ATMSMN1; SMN2PIK3CAALDH1A1
SCHEMBL4910068 0.81 PIK3CA (0.47) SMN1; SMN2PIK3CAALDH1A1LMNAF10
SCHEMBL17202841 0.81 ALDH1A1 (0.65) SMN1; SMN2CMA1ALDH1A1L3MBTL1LMNA
SCHEMBL7895104 0.78 MAP4K1 (0.53) ALOX5PIK3CAF10
SCHEMBL10272402 0.76 ALDH1A1 (0.52) ALOX5PIK3CAALDH1A1L3MBTL1F10
SCHEMBL9454642 0.76 ATM (0.64) ALOX5ATMSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL13097259 0.74 F10 (0.49) PIK3CAF10MEN1KMT2A
SCHEMBL13107121 0.73 MAP4K1 (0.48) SMN1; SMN2PIK3CAALDH1A1LMNA
SCHEMBL85537 0.73 LIPE (0.52) CMA1F10MTORMEN1KMT2A

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
EP-3134408-B1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME (US) 2020-08-12 EP disclosed
US-10093683-B2 Factor XIa inhibitors MERCK SHARP & DOHME CORP. (US) 2018-10-09 US disclosed
EP-3134408-A1 FACTOR XIa INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-03-01 EP disclosed
US-20170044183-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-02-16 US disclosed
WO-2015164308-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-10-29 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 (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-20170044183-A1 FACTOR XIa INHIBITORS F11, SERPINC1, TFPI ALOX5 1405/4885ATM 1476/4885SMN1; SMN2 4591/4885
US-10093683-B2 Factor XIa inhibitors F11, F12, SERPINC1 ALOX5 2044/4885ATM 1457/4885SMN1; SMN2 4445/4885

“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.