SCHEMBL6882924

SCHEMBL6882924

COc1ccc(-c2csc(C(=O)NCC3CCCO3)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 8/20 0.65
▸ SMN1; SMN2 Q16637 3/20 0.65
▸ L3MBTL1 Q9Y468 1/20 0.65
▸ KMT2A Q03164 3/20 0.59
▸ MMP2 P08253 1/20 0.57
▸ MMP8 P22894 1/20 0.57
▸ MMP12 P39900 1/20 0.57
▸ MMP13 P45452 1/20 0.57
▸ ALDH1A1 P00352 7/20 0.56
▸ KDM4E B2RXH2 4/20 0.56
▸ GAA P10253 2/20 0.56
▸ RAB9A P51151 3/20 0.56
▸ RECQL P46063 1/20 0.56
▸ HTT P42858 1/20 0.56
▸ NPC1 O15118 2/20 0.55
▸ CASP1 P29466 1/20 0.55
▸ CASP7 P55210 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ GLA P06280 1/20 0.54
▸ PKM P14618 1/20 0.54

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
SCHEMBL6462005 0.87 MMP12 (0.66) HPGDSMN1; SMN2L3MBTL1KMT2AMMP12
SCHEMBL6881336 0.86 HPGD (0.58) HPGDSMN1; SMN2L3MBTL1KMT2AALDH1A1
SCHEMBL6450947 0.75 MMP12 (0.65) HPGDSMN1; SMN2L3MBTL1MMP2MMP8
SCHEMBL26856936 0.75 HPGD (0.47) HPGDSMN1; SMN2KMT2AALDH1A1KDM4E
SCHEMBL4209935 0.74 CHEK1 (0.59) HPGDSMN1; SMN2L3MBTL1KMT2AALDH1A1
SCHEMBL6451868 0.73 RAB9A (0.54) HPGDSMN1; SMN2L3MBTL1MMP2MMP8
SCHEMBL276395 0.73 KMT2A (0.64) HPGDSMN1; SMN2L3MBTL1KMT2AALDH1A1
SCHEMBL6450822 0.73 MMP12 (1.00) HPGDKMT2AMMP2MMP8MMP12
SCHEMBL13605517 0.73 HPGD (0.70) HPGDSMN1; SMN2L3MBTL1KMT2AALDH1A1
SCHEMBL26856993 0.72 HPGD (0.44) HPGDSMN1; SMN2KMT2AMMP12ALDH1A1

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-20040072871-A1 Novel thiophene derivatives, their process of preparation and the pharmaceutical compositions which comprise them WARNER-LAMBERT COMPANY LLC 2004-04-15 — — US claimed
US-20040072871-A1 Novel thiophene derivatives, their process of preparation and the pharmaceutical compositions which comprise them WARNER-LAMBERT COMPANY LLC 2004-04-15 — — 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-20040072871-A1 Novel thiophene derivatives, their process of preparation and the pharmaceutical compositions which comprise them MMP11, MMP13, CBR1 HPGD 612/4885SMN1; SMN2 3494/4885L3MBTL1 4717/4885

“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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