SCHEMBL5164978

SCHEMBL5164978

COC(=O)[C@@H](N)Cc1ccc(NC(=O)c2ccncc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.56
LMNA P02545 3/20 0.54
MAPK1 P28482 2/20 0.54
ALDH1A1 P00352 1/20 0.54
TP53 P04637 1/20 0.54
KMT2A Q03164 4/20 0.53
ROCK2 O75116 2/20 0.51
ROCK1 Q13464 2/20 0.51
NAMPT P43490 3/20 0.49
HTT P42858 2/20 0.49
KDM4E B2RXH2 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
RAB9A P51151 2/20 0.48
PSMD14 O00487 1/20 0.48
NPC1 O15118 1/20 0.48
AKT1 P31749 1/20 0.47
MEN1 O00255 2/20 0.47
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL27505713 1.00 GAA (0.56) GAALMNAMAPK1ALDH1A1TP53
Hydrochloric Acid SCHEMBL7350429 0.99 GAA (0.55) GAALMNAMAPK1ALDH1A1TP53
Hydrochloric Acid SCHEMBL27553335 0.99 GAA (0.55) GAALMNAMAPK1ALDH1A1TP53
Hydrochloric Acid SCHEMBL7358984 0.86 NPC1 (0.54) GAALMNAALDH1A1KMT2AHTT
SCHEMBL7356331 0.85 RAB9A (0.64) GAALMNAALDH1A1TP53KMT2A
SCHEMBL27573485 0.85 GAA (0.61) GAALMNAMAPK1ALDH1A1TP53
SCHEMBL27573484 0.85 GAA (0.61) GAALMNAMAPK1ALDH1A1TP53
Hydrochloric Acid SCHEMBL27573780 0.84 RAB9A (0.62) GAALMNAALDH1A1TP53KMT2A
Hydrochloric Acid SCHEMBL7356325 0.84 RAB9A (0.62) GAALMNAALDH1A1TP53KMT2A
SCHEMBL5401318 0.83 ALDH1A1 (0.47) ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1763361-A2 STEROID SPARING AGENTS AND THEIR USE Elan Pharmaceuticals, Inc. (US) 2007-03-21 EP disclosed
US-7101855-B2 Pyroglutamic acid derivatives and related compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2006-09-05 US disclosed
EP-1144435-B1 PYROGLUTAMIC ACID DERIVATIVES AND RELATED COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARM INC (US) 2006-04-12 EP disclosed
US-20060004019-A1 Steroid sparing agents and methods of using same BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2006-01-05 US disclosed
EP-1612215-A1 Pyroglutamic acid derivatives and related compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2006-01-04 EP disclosed
WO-2005097162-A2 STEROID SPARING AGENTS AND THEIR USE ELAN PHARMACEUTICALS, INC. (US) 2005-10-20 WO disclosed
US-20030027771-A1 Pyroglutamic acid derivatives and related compounds which inhibit leukocyte adhesion mediated by VLA-4 BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2003-02-06 US disclosed
US-6407066-B1 Pyroglutamic acid derivatives and related compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. 2002-06-18 US disclosed
EP-1144435-A2 PYROGLUTAMIC ACID DERIVATIVES AND RELATED COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2001-10-17 EP disclosed
EP-1140792-A1 3,4-DIAMINO-3-CYCLOBUTENE-1,2-DIONE DERIVATIVES WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-10 EP disclosed
US-6166050-A 3,4-diamino-3-cyclobutene-1,2-dione derivatives which inhibit leukocyte adhesion mediated by VLA-4 AMERICAN HOME PRODUCTS CORPORATION (US) 2000-12-26 US disclosed
WO-2000043413-A2 PYROGLUTAMIC ACID DERIVATIVES AND RELATED COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2000-07-27 WO disclosed
WO-2000035855-A1 3,4-DIAMINO-3-CYCLOBUTENE-1,2-DIONE DERIVATIVES WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-22 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-20060004019-A1 Steroid sparing agents and methods of using same IL5, FCER2, CD40 GAA 3878/4885LMNA 4801/4885MAPK1 3462/4885
US-20030027771-A1 Pyroglutamic acid derivatives and related compounds which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, CD4 GAA 559/4885LMNA 3062/4885MAPK1 2243/4885

“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.