SCHEMBL18797576

SCHEMBL18797576

CC(CCC(=O)O)CS(=O)(=O)c1nc2ccccc2s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.49
▸ HTT P42858 5/20 0.49
▸ MAPT P10636 5/20 0.49
▸ LMNA P02545 4/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ PSMB8 P28062 1/20 0.47
▸ PSMB5 P28074 1/20 0.47
▸ SMN1; SMN2 Q16637 7/20 0.46
▸ ALOX15 P16050 2/20 0.46
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA4 P22748 1/20 0.46
▸ CA7 P43166 1/20 0.46
▸ CA14 Q9ULX7 1/20 0.46
▸ POLB P06746 2/20 0.45
▸ TSHR P16473 2/20 0.45
▸ HPGD P15428 2/20 0.45

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
SCHEMBL18821334 0.89 ALDH1A1 (0.51) ALDH1A1HTTMAPTLMNAKMT2A
SCHEMBL12344738 0.80 ALDH1A1 (0.60) ALDH1A1HTTMAPTLMNAKMT2A
SCHEMBL16625012 0.77 ALDH1A1 (0.60) ALDH1A1HTTMAPTLMNAKMT2A
SCHEMBL20566310 0.77 SMN1; SMN2 (0.57) ALDH1A1HTTMAPTLMNAKMT2A
SCHEMBL13164434 0.76 SMN1; SMN2 (0.56) ALDH1A1HTTMAPTLMNAKMT2A
SCHEMBL7905772 0.75 ALDH1A1 (0.65) ALDH1A1HTTMAPTLMNAKMT2A
SCHEMBL18797545 0.74 ALDH1A1 (0.66) ALDH1A1HTTMAPTLMNAKMT2A
SCHEMBL5256102 0.74 LOXL2 (0.60) ALDH1A1HTTKMT2ASMN1; SMN2ALOX15
SCHEMBL3595617 0.74 ALDH1A1 (0.67) ALDH1A1HTTMAPTLMNAKMT2A
SCHEMBL30149949 0.74 ALDH1A1 (0.67) ALDH1A1HTTMAPTLMNAKMT2A

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 6 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
CN-108430471-B Factor XIa inhibitors 默沙东公司 2021-07-09 — — CN 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
CN-108430471-A Factor xia inhibitors 默沙东公司 2018-08-21 — — CN 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 ALDH1A1 3635/4885HTT 4136/4885MAPT 3611/4885

“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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