SCHEMBL16636146

SCHEMBL16636146

CC12CC1C[C@@H](c1csc(-c3cncc(F)c3)n1)[C@H](C(=O)O)C2

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.35
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FFAR1 O14842 2/20 0.31
ABL1 P00519 1/20 0.31
AKR1C3 P42330 1/20 0.31

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
SCHEMBL16635736 0.81 KDM4E (0.36) PIM1KDM4ESMN1; SMN2FFAR1ABL1
SCHEMBL16636348 0.78 PIM1 (0.37) PIM1KDM4ESMN1; SMN2FFAR1ABL1
SCHEMBL16636149 0.74 PIM1 (0.36) PIM1KDM4ESMN1; SMN2ABL1
SCHEMBL16635614 0.67 EIF4E (0.41) KDM4E
SCHEMBL16635958 0.62 LMNA (0.50) KDM4ESMN1; SMN2
SCHEMBL16635907 0.61 HDAC4 (0.33) PIM1ABL1
SCHEMBL16635769 0.60 PIM1 (0.33) PIM1ABL1AKR1C3
SCHEMBL30910240 0.59 HCAR2 (0.44) FFAR1
SCHEMBL32677589 0.59 HCAR2 (0.44) FFAR1
SCHEMBL27190746 0.59 HCAR2 (0.44) FFAR1

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-3054947-B1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2021-11-17 EP disclosed
US-9573913-B2 Cathepsin cysteine protease inhibitors MERCK SHARP & DOHME CORP. (US) 2017-02-21 US disclosed
US-20160244417-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-08-25 US disclosed
EP-3054947-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2016-08-17 EP disclosed
WO-2015054038-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-04-16 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-20160244417-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS CTSB, CTSS, CTSZ PIM1 2205/4885KDM4E 2274/4885SMN1; SMN2 4512/4885

“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.