SCHEMBL3311681

SCHEMBL3311681

COc1cccc2sc(NC(=O)c3ccc(N4CCN(c5ccc(C(=O)O)cc5)CC4)cc3)nc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DUSP3 P51452 3/20 0.69
▸ CHRM4 P08173 1/20 0.66
▸ MAPT P10636 2/20 0.64
▸ MEN1 O00255 2/20 0.64
▸ KMT2A Q03164 2/20 0.64
▸ GAA P10253 1/20 0.64
▸ MAPK1 P28482 1/20 0.64
▸ TP53 P04637 2/20 0.60
▸ LMNA P02545 1/20 0.60
▸ CASP3 P42574 1/20 0.58
▸ SENP8 Q96LD8 1/20 0.58
▸ SENP6 Q9GZR1 1/20 0.58
▸ DYRK1A Q13627 1/20 0.57
▸ ADORA1 P30542 2/20 0.55
▸ TMIGD3 P0DMS9 1/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ NPC1 O15118 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ HPGD P15428 1/20 0.55
▸ PPARG P37231 1/20 0.55

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
SCHEMBL3045307 0.84 DUSP3 (0.82) DUSP3CHRM4MAPTMEN1KMT2A
SCHEMBL14807633 0.82 DUSP3 (0.82) DUSP3CHRM4MAPTMEN1KMT2A
SCHEMBL3054015 0.78 DUSP3 (0.76) DUSP3CHRM4MAPTMEN1KMT2A
SCHEMBL20660046 0.77 DYRK1A (0.80) DUSP3CHRM4MAPTMEN1KMT2A
SCHEMBL8096406 0.76 DUSP3 (0.72) DUSP3CHRM4MAPTMEN1KMT2A
SCHEMBL30961687 0.76 MAPT (0.59) DUSP3CHRM4MAPTMEN1KMT2A
SCHEMBL8093463 0.76 DUSP3 (0.69) DUSP3CHRM4MAPTMEN1KMT2A
SCHEMBL27192435 0.76 TMIGD3 (0.55) DUSP3CHRM4MAPTMEN1KMT2A
SCHEMBL28416866 0.75 ADORA2A (0.68) MAPTMEN1KMT2AADORA1ADORA2A
SCHEMBL2302863 0.75 LRRK2 (0.63) MEN1KMT2ALMNAKDM4ENPC1

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-2350311-B1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS MADRIGAL PHARMACEUTICALS INC (US) 2013-12-25 — — EP claimed
EP-2350311-B1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS MADRIGAL PHARMACEUTICALS INC (US) 2013-12-25 — — EP disclosed
US-8324385-B2 Diacylglycerol acyltransferase inhibitors MADRIGAL PHARMACEUTICALS, INC. (US) 2012-12-04 — — US disclosed
US-8324385-B2 Diacylglycerol acyltransferase inhibitors MADRIGAL PHARMACEUTICALS, INC. (US) 2012-12-04 — — US disclosed
US-8324385-B2 Diacylglycerol acyltransferase inhibitors MADRIGAL PHARMACEUTICALS, INC. (US) 2012-12-04 — — US disclosed
US-20100113782-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2010-05-06 — — US disclosed
US-20100113782-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2010-05-06 — — US disclosed
US-20100113782-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2010-05-06 — — 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-20100113782-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, MOGAT2 DUSP3 2718/4885CHRM4 4393/4885MAPT 4008/4885

“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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