SCHEMBL17381367

SCHEMBL17381367

CC(=O)CCCCC(CCSCc1ccccc1)SCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 1/20 0.49
▸ ALDH1A1 P00352 4/20 0.41
▸ HPGD P15428 4/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ POLB P06746 1/20 0.38
▸ PTGER1 P34995 1/20 0.38
▸ PTGER4 P35408 1/20 0.38
▸ PTGER3 P43115 1/20 0.38
▸ PTGER2 P43116 1/20 0.38
▸ MMP1 P03956 1/20 0.37
▸ MMP2 P08253 1/20 0.37
▸ MMP3 P08254 1/20 0.37
▸ MMP7 P09237 1/20 0.37
▸ MMP9 P14780 1/20 0.37
▸ MMP13 P45452 1/20 0.37
▸ USP2 O75604 1/20 0.36
▸ FAAH O00519 1/20 0.36
▸ ALPL P05186 1/20 0.36
▸ ALPI P09923 1/20 0.36

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
SCHEMBL22299026 0.99 CYP2C19 (0.48) CYP2C19ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL17973796 0.91 CYP2C19 (0.43) CYP2C19ALDH1A1HPGDSMN1; SMN2LMNA
Cpi 613 SCHEMBL13333201 0.89 CYP2C19 (0.59) CYP2C19ALDH1A1HPGDSMN1; SMN2LMNA
Cpi 613 SCHEMBL1062218 0.89 CYP2C19 (0.59) CYP2C19ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL17381514 0.88 CYP2C19 (0.58) CYP2C19ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL13333202 0.88 CYP2C19 (0.50) CYP2C19ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL22299081 0.88 CYP2C19 (0.58) CYP2C19ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL16282701 0.86 ALDH1A1 (0.49) CYP2C19ALDH1A1SMN1; SMN2LMNAMMP13
SCHEMBL13333203 0.86 CYP2C19 (0.46) CYP2C19ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL14027320 0.85 ALDH1A1 (0.42) CYP2C19ALDH1A1SMN1; SMN2POLBPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240016805-A1 THERAPEUTIC METHODS AND COMPOSITIONS FOR TREATING PANCREATIC CANCER USING DEVIMISTAT CORNERSTONE PHARMACEUTICALS INC (US) 2024-01-18 — — US disclosed
WO-2022146980-A1 COMPOSITIONS AND METHODS FOR INHIBITING FIBROSIS, INFLAMMATION AND CANCER GEORGIA TECH RESEARCH CORPORATION (US) 2022-07-07 — — WO disclosed
EP-3189033-B1 PHARMACEUTICAL COMPOUNDS RAFAEL PHARMACEUTICALS INC (US) 2020-08-05 — — EP disclosed
WO-2015195070-A1 PHARMACEUTICAL COMPOUNDS SHORR ROBERT (US) 2015-12-23 — — 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-20240016805-A1 THERAPEUTIC METHODS AND COMPOSITIONS FOR TREATING PANCREATIC CANCER USING DEVIMISTAT RNASE1, FOLH1, PNLIP CYP2C19 4122/4885ALDH1A1 1521/4885HPGD 1708/4885

“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.

Send feedback