SCHEMBL18152937

SCHEMBL18152937

CC(Cl)C(=O)c1ccc(C(=O)OC(C)(C)C)s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
NPSR1 Q6W5P4 2/20 0.36
TSHR P16473 2/20 0.36
HPGD P15428 2/20 0.36
MAPK1 P28482 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
GRM6 O15303 1/20 0.34
LMNA P02545 3/20 0.33
KMT2A Q03164 2/20 0.33
PPARG P37231 1/20 0.33
NCOA2 Q15596 1/20 0.33
NCOA1 Q15788 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32

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
SCHEMBL8549434 0.84 TSHR (0.44) ALDH1A1NPSR1TSHRHPGDMAPK1
SCHEMBL16942053 0.80 ALDH1A1 (0.39) ALDH1A1NPSR1TSHRHPGDMAPK1
SCHEMBL8549436 0.78 DAO (0.48) ALDH1A1NPSR1TSHRHPGDMAPK1
SCHEMBL5919206 0.78 LMNA (0.53) ALDH1A1NPSR1TSHRHPGDMAPK1
SCHEMBL23791955 0.77 ALDH1A1 (0.38) ALDH1A1NPSR1TSHRHPGDMAPK1
SCHEMBL20559439 0.74 GRM6 (0.37) ALDH1A1NPSR1TSHRHPGDMAPK1
SCHEMBL12271761 0.74 GRM6 (0.37) ALDH1A1NPSR1TSHRHPGDMAPK1
SCHEMBL4345360 0.74 DAO (0.53) ALDH1A1NPSR1TSHRHPGDMAPK1
SCHEMBL1185564 0.73 HPGD (0.44) ALDH1A1NPSR1TSHRHPGDMAPK1
Hydrochloric Acid SCHEMBL2410721 0.73 GRM6 (0.36) ALDH1A1NPSR1TSHRHPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3283464-B1 FACTOR XIA INHIBITORS MERCK SHARP & DOHME (US) 2019-10-23 EP disclosed
EP-3283464-B1 FACTOR XIA INHIBITORS MERCK SHARP & DOHME (US) 2019-10-23 EP disclosed
US-10081617-B2 Factor XIa inhibitors MERCK SHARP & DOHME CORP. (US) 2018-09-25 US disclosed
US-20180079743-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-03-22 US disclosed
US-20180079743-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-03-22 US disclosed
US-20180079743-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-03-22 US disclosed
EP-3283464-A1 FACTOR XIa INHIBITORS Merck Sharp & Dohme Corp. (US) 2018-02-21 EP disclosed
WO-2016168098-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-10-20 WO disclosed
WO-2016168098-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-10-20 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-20180079743-A1 FACTOR XIa INHIBITORS F11, F2, TFPI ALDH1A1 3638/4885NPSR1 3450/4885TSHR 3525/4885
US-10081617-B2 Factor XIa inhibitors F11, F2, TFPI ALDH1A1 3638/4885NPSR1 3450/4885TSHR 3525/4885

“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.