SCHEMBL17203124

SCHEMBL17203124

CCOC(=O)c1ccc(NC(=O)OCCN2CCOCC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 6/20 0.67
▸ ALDH1A1 P00352 5/20 0.67
▸ RAB9A P51151 4/20 0.67
▸ MAPT P10636 4/20 0.65
▸ MAPK1 P28482 3/20 0.65
▸ TSHR P16473 3/20 0.65
▸ LMNA P02545 2/20 0.65
▸ STAT3 P40763 1/20 0.65
▸ ATM Q13315 1/20 0.62
▸ POLB P06746 1/20 0.58
▸ GAA P10253 1/20 0.56
▸ NPC1 O15118 2/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ KDM4E B2RXH2 2/20 0.55
▸ HPGD P15428 1/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.53
▸ RXFP1 Q9HBX9 1/20 0.53
▸ MITF O75030 1/20 0.53
▸ USP2 O75604 1/20 0.53
▸ TP53 P04637 1/20 0.53

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
SCHEMBL2056388 0.86 MAPT (0.59) SMN1; SMN2ALDH1A1RAB9AMAPTMAPK1
SCHEMBL8202631 0.86 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1RAB9AMAPTMAPK1
SCHEMBL17202971 0.85 ATM (0.56) SMN1; SMN2ALDH1A1RAB9AMAPTLMNA
Hydrochloric Acid SCHEMBL17202790 0.84 ATM (0.55) SMN1; SMN2ALDH1A1RAB9AMAPTLMNA
SCHEMBL4441360 0.81 SMN1; SMN2 (0.73) SMN1; SMN2ALDH1A1MAPTMAPK1LMNA
SCHEMBL8489898 0.81 ATM (0.77) SMN1; SMN2ALDH1A1RAB9ALMNAATM
SCHEMBL2054582 0.81 MAPT (0.55) SMN1; SMN2ALDH1A1RAB9AMAPTMAPK1
SCHEMBL17206298 0.80 ATM (0.58) SMN1; SMN2ALDH1A1RAB9AMAPTMAPK1
SCHEMBL13657275 0.80 SMN1; SMN2 (0.55) SMN1; SMN2RAB9AMAPTMAPK1TSHR
SCHEMBL10174568 0.80 ATM (0.75) SMN1; SMN2ALDH1A1RAB9AMAPTMAPK1

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 SMN1; SMN2 4591/4885ALDH1A1 3635/4885RAB9A 1961/4885
US-10093683-B2 Factor XIa inhibitors F11, F12, SERPINC1 SMN1; SMN2 4445/4885ALDH1A1 3478/4885RAB9A 1936/4885

“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.

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