Sugi Predict

Sugi Predict / Compounds / SCHEMBL953230

SCHEMBL953230

SCHEMBL953230

CCOc1cccc(F)c1-c1nc(-c2c(C)nn3ccccc23)sc1C(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.39
▸ KMT2A Q03164 4/20 0.36
▸ RAB9A P51151 6/20 0.35
▸ NPC1 O15118 5/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPT P10636 3/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ CDC7 O00311 2/20 0.34
▸ DBF4 Q9UBU7 2/20 0.34
▸ RXFP1 Q9HBX9 3/20 0.33
▸ THRB P10828 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HCRTR1 O43613 1/20 0.33
▸ HCRTR2 O43614 1/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ DHODH Q02127 1/20 0.33

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
SCHEMBL954286 0.91 NPC1 (0.34) KMT2ARAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL951855 0.91 TSHR (0.36) LMNAKMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL955503 0.91 CDC7 (0.36) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL953824 0.90 NPC1 (0.37) KMT2ARAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL953252 0.86 ALDH1A1 (0.38) LMNAKMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL957443 0.85 TSHR (0.39) LMNAKMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL953922 0.83 MAP4K1 (0.36) SMN1; SMN2
SCHEMBL958092 0.83 TRPM8 (0.38) LMNAKMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL955283 0.82 CDC7 (0.36) KMT2AALDH1A1MEN1CDC7DBF4
SCHEMBL953569 0.81 KMT2A (0.39) KMT2ARAB9ANPC1SMN1; SMN2ALDH1A1

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-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 — — US disclosed
US-9090601-B2 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-28 — — US disclosed
EP-2391619-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS Millennium Pharmaceuticals, Inc. (US) 2011-12-07 — — EP disclosed
US-20110003807-A1 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 — — US disclosed
US-20110003806-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 — — US disclosed
WO-2010090716-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-08-12 — — 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 (2 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-20110003807-A1 Thiazole derivatives MTOR, RICTOR, AKT2 LMNA 4454/4885KMT2A 2441/4885RAB9A 1059/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 LMNA 2019/4885KMT2A 2459/4885RAB9A 668/4885

“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.