SCHEMBL13333202

SCHEMBL13333202

NC(=O)CCCCC(CCSCc1ccccc1)SCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 1/20 0.50
▸ EPHX1 P07099 3/20 0.41
▸ HPGD P15428 4/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ PTGER1 P34995 1/20 0.39
▸ PTGER4 P35408 1/20 0.39
▸ PTGER3 P43115 1/20 0.39
▸ PTGER2 P43116 1/20 0.39
▸ 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 0.37
▸ SCN5A Q14524 1/20 0.37
▸ SCN2A Q99250 1/20 0.37
▸ ALPL P05186 1/20 0.37

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
SCHEMBL10307777 0.92 CYP2C19 (0.52) CYP2C19EPHX1HPGDALDH1A1SMN1; SMN2
Cpi 613 SCHEMBL13333201 0.90 CYP2C19 (0.59) CYP2C19HPGDALDH1A1SMN1; SMN2LMNA
Cpi 613 SCHEMBL1062218 0.90 CYP2C19 (0.59) CYP2C19HPGDALDH1A1SMN1; SMN2LMNA
SCHEMBL17973796 0.90 CYP2C19 (0.43) CYP2C19EPHX1HPGDALDH1A1SMN1; SMN2
SCHEMBL22299081 0.89 CYP2C19 (0.58) CYP2C19HPGDALDH1A1SMN1; SMN2LMNA
SCHEMBL17381514 0.89 CYP2C19 (0.58) CYP2C19HPGDALDH1A1SMN1; SMN2LMNA
SCHEMBL17381367 0.88 CYP2C19 (0.49) CYP2C19HPGDALDH1A1SMN1; SMN2LMNA
SCHEMBL22299026 0.86 CYP2C19 (0.48) CYP2C19HPGDALDH1A1SMN1; SMN2LMNA
SCHEMBL12183635 0.84 CYP2C19 (0.44) CYP2C19HPGDALDH1A1SMN1; SMN2LMNA
SCHEMBL13333203 0.84 CYP2C19 (0.46) CYP2C19HPGDALDH1A1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116751199-B Mitochondrial protease targeted chimera, preparation method and application 中国科学院基础医学与肿瘤研究所(筹) 2025-03-18 — — CN disclosed
CN-116751199-A Mitochondrial protease targeted chimera, preparation method and application 中国科学院基础医学与肿瘤研究所(筹) 2023-09-15 — — CN disclosed
US-10450337-B2 Pharmaceutical compounds RAFAEL PHARMACEUTICALS, INC. (US) 2019-10-22 — — US disclosed
US-20170218003-A1 PHARMACEUTICAL COMPOUNDS RAFAEL PHARMACEUTICALS, INC. 2017-08-03 — — US disclosed
US-20170218003-A1 PHARMACEUTICAL COMPOUNDS RAFAEL PHARMACEUTICALS, INC. 2017-08-03 — — US disclosed
WO-2015195070-A1 PHARMACEUTICAL COMPOUNDS SHORR ROBERT (US) 2015-12-23 — — WO disclosed
WO-2010062381-A1 ORGANELLE-SPECIFIC DRUG DELIVERY SHORR ROBERT (US) 2010-06-03 — — 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-20170218003-A1 PHARMACEUTICAL COMPOUNDS SLC27A1, LIPA, ALOX12 CYP2C19 1175/4885EPHX1 2270/4885HPGD 443/4885
US-10450337-B2 Pharmaceutical compounds SLC27A1, LIPA, ALOX12 CYP2C19 1175/4885EPHX1 2270/4885HPGD 443/4885

“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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