SCHEMBL7040817

SCHEMBL7040817

CC(=O)SC(CC(=O)OCc1ccccc1)Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ CYP2D6 P10635 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ ABCC3 O15438 1/20 0.54
▸ NR1I2 O75469 1/20 0.54
▸ ABCB11 O95342 1/20 0.54
▸ NR3C1 P04150 1/20 0.54
▸ RARG P13631 1/20 0.54
▸ CNR1 P21554 1/20 0.54
▸ OPRK1 P41145 1/20 0.54
▸ NR1H2 P55055 1/20 0.54
▸ PPARA Q07869 1/20 0.54
▸ NR1H3 Q13133 1/20 0.54
▸ NR1I3 Q14994 1/20 0.54
▸ SLC15A1 P46059 2/20 0.53
▸ ALDH1A1 P00352 4/20 0.50
▸ MAPK1 P28482 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL11821169 0.94 PPARA (0.49) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL12268109 0.89 PPID (0.46) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL219593 0.83 LMNA (0.47) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6155924 0.82 CPA1 (0.51) CYP1A2SLC15A1CTRB1KMT2AMEN1
SCHEMBL11827301 0.81 SRR (0.45) PPARAALDH1A1
SCHEMBL11828803 0.78 SRR (0.43) PPARA
SCHEMBL19007853 0.77 ALDH1A1 (0.56) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5829150 0.75 ALDH1A1 (0.58) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL1195221 0.75 ALDH1A1 (0.59) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL111390 0.75 ALDH1A1 (0.61) SLC15A1ALDH1A1MAPK1L3MBTL1ABCB1

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-20030050310-A1 Hydroxamic acid derivatives as proteinase inhibitors BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2003-03-13 — — US disclosed
US-6479502-B1 TREATMENT OF DISEASES AND CONDITIONS RESPONSIVE TO MODULATION OF MATRIX METALLOPROTEINASE ACTIVITY BRITISH BIOTECH PHARMACEUTICALS (GB) 2002-11-12 — — US disclosed
EP-1107953-A1 HYDROXAMIC ACID DERIVATIVES AS PROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2001-06-20 — — EP disclosed
WO-2000012477-A1 HYDROXAMIC ACID DERIVATIVES AS PROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2000-03-09 — — 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-20030050310-A1 Hydroxamic acid derivatives as proteinase inhibitors MMP2, CTSH, TIMP3 CYP1A2 2290/4885CYP3A4 2988/4885CYP2D6 2095/4885

“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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