SCHEMBL14054088

SCHEMBL14054088

CC(C)c1ccc(S(=O)(=O)n2c(CO)cc3cc(Cl)cnc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 1/20 0.40
▸ PPARG P37231 6/20 0.36
▸ PPARD Q03181 3/20 0.36
▸ PPARA Q07869 4/20 0.35
▸ PSEN1 P49768 2/20 0.35
▸ PSEN2 P49810 2/20 0.35
▸ APH1B Q8WW43 2/20 0.35
▸ NCSTN Q92542 2/20 0.35
▸ APH1A Q96BI3 2/20 0.35
▸ PSENEN Q9NZ42 2/20 0.35
▸ MCOLN3 Q8TDD5 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ HTR6 P50406 3/20 0.34

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
SCHEMBL14124725 0.89 NOD1 (0.40) NOD1PPARGPPARDPPARAMCOLN3
SCHEMBL2365154 0.83 RXRA (0.39) NOD1PPARGPPARDPSEN1PSEN2
SCHEMBL14053826 0.81 MRGPRX4 (0.35) NOD1PPARGPPARDPPARA
SCHEMBL15520182 0.80 PPARG (0.35) NOD1PPARGPPARDPPARAPSEN1
SCHEMBL15519840 0.77 CNR1 (0.39) NOD1
SCHEMBL15520543 0.76 RXRA (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20502417 0.74 ENPP3 (0.48) NOD1PPARGPPARD
SCHEMBL14054259 0.74 CA12 (0.41) NOD1
SCHEMBL15520544 0.74 MCL1 (0.35) NOD1PPARGPPARDPTGS2
SCHEMBL1772879 0.70 ALDH1A1 (0.42) NOD1PSEN1PSEN2APH1BNCSTN

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-2521727-B1 NEW BENZOIC PYRROLOPYRIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF PARKINSON'S DISEASE INVENTIVA (FR) 2014-03-19 — — EP disclosed
US-8546385-B2 Benzoic pyrrolopyridine derivatives LABORATOIRES FOURNIER SA (FR) 2013-10-01 — — US disclosed
US-8546385-B2 Benzoic pyrrolopyridine derivatives LABORATOIRES FOURNIER SA (FR) 2013-10-01 — — US disclosed
US-8546385-B2 Benzoic pyrrolopyridine derivatives LABORATOIRES FOURNIER SA (FR) 2013-10-01 — — US disclosed
US-20120302560-A1 Novel Benzoic Pyrrolopyridine Derivatives LABORATOIRES FOURNIER SA (FR) 2012-11-29 — — US disclosed
US-20120302560-A1 Novel Benzoic Pyrrolopyridine Derivatives LABORATOIRES FOURNIER SA (FR) 2012-11-29 — — US disclosed
US-20120302560-A1 Novel Benzoic Pyrrolopyridine Derivatives LABORATOIRES FOURNIER SA (FR) 2012-11-29 — — US disclosed
CN-102753552-A Novel pyrrolopyridine benzoate derivatives FOURNIER LAB SA 2012-10-24 — — CN 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-20120302560-A1 Novel Benzoic Pyrrolopyridine Derivatives NCOR1, NCOR2, NR0B1 NOD1 1153/4885PPARG 133/4885PPARD 35/4885

“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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