SCHEMBL16635958

SCHEMBL16635958

O=C(O)C1CCCCC1c1csc(-c2ccc(F)cc2)n1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
CPT1A P50416 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
AR P10275 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
CYP19A1 P11511 1/20 0.40
POLB P06746 2/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.39
TBXA2R P21731 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TLR7 Q9NYK1 1/20 0.39

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
SCHEMBL16635783 0.86 SLC6A2 (0.46) LMNACPT1A
SCHEMBL16635781 0.86 SLC6A2 (0.46) LMNACPT1A
SCHEMBL16635678 0.76 CTSK (0.42) LMNASMN1; SMN2TAAR1ALDH1A1TBXA2R
SCHEMBL16635827 0.76 CTSK (0.42) LMNASMN1; SMN2TAAR1ALDH1A1TBXA2R
SCHEMBL16635790 0.75 HPGD (0.49) LMNASMN1; SMN2TAAR1POLBGAA
SCHEMBL14921524 0.72 SMN1; SMN2 (0.51) SMN1; SMN2TAAR1ALDH1A1TBXA2RMEN1
SCHEMBL14921526 0.72 SMN1; SMN2 (0.51) SMN1; SMN2TAAR1ALDH1A1TBXA2RMEN1
SCHEMBL14921525 0.72 SMN1; SMN2 (0.51) SMN1; SMN2TAAR1ALDH1A1TBXA2RMEN1
SCHEMBL2310395 0.71 KDM4E (0.46) LMNACPT1ASMN1; SMN2KDM4EAR
SCHEMBL2310391 0.71 KDM4E (0.46) LMNACPT1ASMN1; SMN2KDM4EAR

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-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-2015051479-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-04-16 WO 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 LMNA 2431/4885CPT1A 4224/4885SMN1; 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.