SCHEMBL17157142

SCHEMBL17157142

CC1(C)OC(=O)C(C(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)O)C(=O)O1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ CA2 P00918 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ CACNA1G O43497 2/20 0.39
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 2/20 0.38
▸ PPARG P37231 1/20 0.37
▸ MMP1 P03956 1/20 0.37
▸ MMP3 P08254 1/20 0.37
▸ ACE P12821 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ CTSL P07711 1/20 0.35
▸ WDR5 P61964 1/20 0.35

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
SCHEMBL17157145 1.00 KMT2A (0.43) KMT2AMEN1CA2SMN1; SMN2NPC1
SCHEMBL23459129 0.86 KMT2A (0.42) KMT2ANPC1RAB9A
SCHEMBL23459130 0.86 KMT2A (0.42) KMT2ANPC1RAB9A
SCHEMBL17174237 0.86 PPARG (0.49) SMN1; SMN2NPC1RAB9AMAPTPPARG
SCHEMBL22154610 0.86 PPARG (0.49) SMN1; SMN2NPC1RAB9AMAPTPPARG
SCHEMBL22121189 0.83 MEN1 (0.42) KMT2AMEN1LMNAMAPTPPARG
SCHEMBL17171322 0.82 SMN1; SMN2 (0.43) KMT2AMEN1SMN1; SMN2NPC1TP53
SCHEMBL17748796 0.81 MEN1 (0.46) KMT2AMEN1CA2SMN1; SMN2NPC1
SCHEMBL17157170 0.80 LMNA (0.46) KMT2AMEN1CA2SMN1; SMN2NPC1
SCHEMBL17157166 0.80 LMNA (0.46) KMT2AMEN1CA2SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10159745-B2 Tubulysin derivatives MEDIMMUNE, LLC (US) 2018-12-25 — — US disclosed
EP-3129362-A1 TUBULYSIN DERIVATIVES Medimmune, LLC (US) 2017-02-15 — — EP disclosed
US-20160339114-A1 TUBULYSIN DERIVATIVES MEDIMMUNE LLC (US) 2016-11-24 — — US disclosed
US-9427479-B2 Tubulysin derivatives MEDIMMUNE LLC (US) 2016-08-30 — — US disclosed
US-20150291657-A1 TUBULYSIN DERIVATIVES MEDIMMUNE LLC (US) 2015-10-15 — — US disclosed
WO-2015157594-A1 TUBULYSIN DERIVATIVES MEDIMMUNE LLC (US) 2015-10-15 — — 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 (3 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-10159745-B2 Tubulysin derivatives TEKT1, TWF2, TEK KMT2A 2974/4885MEN1 1060/4885CA2 2254/4885
US-20150291657-A1 TUBULYSIN DERIVATIVES TEKT1, TWF2, TEK KMT2A 2974/4885MEN1 1060/4885CA2 2254/4885
US-20160339114-A1 TUBULYSIN DERIVATIVES TEKT1, TWF2, TEK KMT2A 2974/4885MEN1 1060/4885CA2 2254/4885

“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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