SCHEMBL7080648

SCHEMBL7080648

CC(C)C(CS(=O)(=O)CCCOc1ccccc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ KCNA3 P22001 1/20 0.42
▸ RECQL P46063 1/20 0.41
▸ PPARG P37231 3/20 0.41
▸ PPARA Q07869 3/20 0.41
▸ PPARD Q03181 2/20 0.41
▸ MTNR1A P48039 1/20 0.41
▸ MTNR1B P49286 1/20 0.41
▸ MMP2 P08253 2/20 0.40
▸ MMP9 P14780 2/20 0.40
▸ ALOX5 P09917 1/20 0.40
▸ MMP8 P22894 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ GRM2 Q14416 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40

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
SCHEMBL7077695 0.88 HDAC1 (0.44) L3MBTL1HPGDMMP2MMP9MMP8
SCHEMBL7078220 0.88 MEN1 (0.45) L3MBTL1PPARGPPARAMAPK1RAB9A
SCHEMBL7078124 0.76 MEN1 (0.44) PPARGPPARAMMP2MMP9MMP8
SCHEMBL7078290 0.76 HCRTR2 (0.41) —
SCHEMBL7076018 0.74 PKM (0.44) PKMTDP1L3MBTL1HPGDKCNA3
SCHEMBL5704316 0.71 KCNA3 (0.58) PKML3MBTL1KCNA3RECQLMAPT
SCHEMBL7245161 0.71 KCNA3 (0.58) PKML3MBTL1KCNA3
SCHEMBL6160049 0.70 CASP1 (0.66) PKML3MBTL1HPGDRECQLMTNR1A
SCHEMBL6920635 0.70 TDP1 (0.59) PKMTDP1L3MBTL1HPGDKCNA3
SCHEMBL5026152 0.70 MAPK1 (0.51) PKMTDP1L3MBTL1HPGDKCNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030207889-A1 Hydroxamic and carboxylic acid derivatives having MMP and TNF inhibitory activity OWEN DAVID ALAN (GB) 2003-11-06 — — US disclosed
US-6566384-B1 For therapy of cancer, inflammation and inflammatory diseases, tissue degeneration, periodontal disease, ophthalmological disease, dermatological disorders, fever, cardiovascular effects, haemorrhage, coagulation and acute phase response DARWIN DISCOVERY LTD. (GB) 2003-05-20 — — US 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-20030207889-A1 Hydroxamic and carboxylic acid derivatives having MMP and TNF inhibitory activity MMP13, MMP2, MMP9 PKM 3054/4885TDP1 2654/4885L3MBTL1 3771/4885

“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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