SCHEMBL1014533

SCHEMBL1014533

COC(=O)[C@@H]1C[C@@H](Oc2cc(-c3ccccc3)nc3cc(OC)ccc23)C[C@@H]1NC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ TACR3 P29371 8/20 0.46
▸ ACACB O00763 4/20 0.43
▸ PLA2G2A P14555 1/20 0.41
▸ KLK7 P49862 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CTSB P07858 1/20 0.40
▸ ACACA Q13085 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HTT P42858 1/20 0.38

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
SCHEMBL1013614 0.94 KDM4E (0.49) KDM4ESMN1; SMN2ALDH1A1TACR3ACACB
SCHEMBL1069117 0.94 KDM4E (0.49) KDM4ESMN1; SMN2ALDH1A1TACR3ACACB
SCHEMBL1013638 0.94 KDM4E (0.49) KDM4ESMN1; SMN2ALDH1A1TACR3ACACB
SCHEMBL1012675 0.93 KDM4E (0.45) KDM4ESMN1; SMN2ALDH1A1TACR3ACACB
SCHEMBL14076822 0.86 KDM4E (0.54) KDM4ESMN1; SMN2ALDH1A1TACR3ACACB
SCHEMBL5107752 0.83 KDM4E (0.53) KDM4ESMN1; SMN2ALDH1A1TACR3PLA2G2A
SCHEMBL13223061 0.83 KDM4E (0.53) KDM4ESMN1; SMN2ALDH1A1TACR3PLA2G2A
SCHEMBL5104795 0.83 KDM4E (0.53) KDM4ESMN1; SMN2ALDH1A1TACR3PLA2G2A
SCHEMBL3049441 0.82 KDM4E (0.45) KDM4ESMN1; SMN2ALDH1A1TACR3ACACB
SCHEMBL3053198 0.81 KDM4E (0.44) KDM4ESMN1; SMN2ALDH1A1TACR3ACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2272858-A2 HCV inhibitors comprising beta amino acids and their uses Novartis AG (CH) 2011-01-12 — — EP disclosed
US-20080045530-A1 Organic Compounds and Their Uses BRANDL TRIXI 2008-02-21 — — US disclosed
US-20080045530-A1 Organic Compounds and Their Uses BRANDL TRIXI 2008-02-21 — — US disclosed
US-20080045530-A1 Organic Compounds and Their Uses BRANDL TRIXI 2008-02-21 — — US disclosed
WO-2007121124-A2 HCV INHIBITORS COMPRISING BETA AMINO ACIDS AND THEIR USES NOVARTIS AG (CH) 2007-10-25 — — WO 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-20080045530-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 KDM4E 4021/4885SMN1; SMN2 877/4885ALDH1A1 135/4885

“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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