SCHEMBL689103

SCHEMBL689103

O=c1[nH]nc(CS(=O)(=O)Cc2ccc(Br)cc2)[nH]1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 2/20 0.41
▸ MMP10 P09238 2/20 0.41
▸ MMP8 P22894 2/20 0.41
▸ MMP13 P45452 2/20 0.41
▸ MMP3 P08254 1/20 0.41
▸ MMP12 P39900 1/20 0.41
▸ GLA P06280 1/20 0.36
▸ AKR1B1 P15121 3/20 0.36
▸ TSHR P16473 3/20 0.35
▸ TYMP P19971 1/20 0.35
▸ NPC1 O15118 2/20 0.34
▸ GPR84 Q9NQS5 1/20 0.33
▸ S100A9 P06702 1/20 0.32
▸ PLCG1 P19174 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ APOBEC3G Q9HC16 1/20 0.31
▸ DAO P14920 1/20 0.31

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
SCHEMBL1138688 0.77 PLCG1 (0.46) MMP2MMP8MMP13NPC1PLCG1
SCHEMBL689174 0.74 MMP2 (0.57) MMP2MMP10MMP8MMP13MMP3
SCHEMBL689253 0.73 TSHR (0.52) GLATSHRNPC1LMNAHPGD
SCHEMBL687574 0.72 MMP13 (0.51) MMP2MMP10MMP8MMP13MMP3
SCHEMBL20155480 0.68 PLCG1 (0.41) TSHRNPC1PLCG1
SCHEMBL4045604 0.66 GLA (0.47) GLATSHR
SCHEMBL9200717 0.65 PLCG1 (0.46) MMP2MMP8MMP13TSHRNPC1
SCHEMBL14426941 0.64 KMT2A (0.43) MMP2MMP13MMP3TSHRNPC1
SCHEMBL15568723 0.64 KMT2A (0.43) MMP2MMP8MMP13MMP3NPC1
SCHEMBL4047450 0.63 DAO (0.47) DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1953148-B1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2012-02-29 — — EP disclosed
US-7915267-B2 Heterocyclic amide compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-29 — — US disclosed
US-7915267-B2 Heterocyclic amide compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-29 — — US disclosed
US-7915267-B2 Heterocyclic amide compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-29 — — US disclosed
US-20090137603-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 — — US disclosed
US-20090137603-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 — — US disclosed
US-20090137603-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 — — US disclosed
EP-1953148-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2008-08-06 — — EP 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-20090137603-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF MMP2, MMP9, MMP1 MMP2 1/4885MMP10 9/4885MMP8 7/4885

“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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