SCHEMBL7014077

SCHEMBL7014077

COc1ccc(/C=C/C(=O)OC(C)(C)C)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.48
LMNA P02545 4/20 0.48
RAB9A P51151 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
MAPT P10636 2/20 0.48
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
TUBA1B P68363 1/20 0.47
TUBA4A P68366 1/20 0.47
TUBB4B P68371 1/20 0.47
TUBB3 Q13509 1/20 0.47
TUBB2A Q13885 1/20 0.47
TUBB8 Q3ZCM7 1/20 0.47
TUBA3E Q6PEY2 1/20 0.47
TUBA1A Q71U36 1/20 0.47
TUBA1C Q9BQE3 1/20 0.47
TUBB6 Q9BUF5 1/20 0.47
TUBB2B Q9BVA1 1/20 0.47
TUBB1 Q9H4B7 1/20 0.47

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
SCHEMBL7014079 1.00 NPC1 (0.48) NPC1LMNARAB9ASMN1; SMN2MAPT
SCHEMBL8664419 0.85 FDPS (0.58) NPC1LMNARAB9ASMN1; SMN2MAPT
SCHEMBL8664417 0.85 FDPS (0.58) NPC1LMNARAB9ASMN1; SMN2MAPT
SCHEMBL15278590 0.84 ESR1 (0.40) NPC1LMNARAB9ASMN1; SMN2ESR1
SCHEMBL15914297 0.84 NPC1 (0.45) NPC1LMNARAB9ASMN1; SMN2MAPT
SCHEMBL15914299 0.84 NPC1 (0.45) NPC1LMNARAB9ASMN1; SMN2MAPT
SCHEMBL998917 0.82 CA12 (0.42) NPC1LMNARAB9ASMN1; SMN2ESR1
SCHEMBL998915 0.82 CA12 (0.42) NPC1LMNARAB9ASMN1; SMN2ESR1
SCHEMBL28608967 0.82 F3 (0.56) NPC1LMNARAB9ASMN1; SMN2MAPT
SCHEMBL3870743 0.81 FDPS (0.61) NPC1LMNARAB9ASMN1; SMN2MAPT

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2023-05-02 US disclosed
US-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2023-05-02 US disclosed
US-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2023-05-02 US disclosed
EP-3538525-B1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2022-06-22 EP disclosed
CN-110167934-B Cyclobutane-and azetidine-containing monocyclic and spiro compounds as alpha V integrin inhibitors 百时美施贵宝公司 2022-06-10 CN disclosed
US-20210246136-A1 CYCLOBUTANES- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-08-12 US disclosed
US-20210246136-A1 CYCLOBUTANES- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-08-12 US disclosed
US-20210188847-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-06-24 US disclosed
US-11028071-B2 Indazole derivatives as alpha v integrin antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2021-06-08 US disclosed
US-11014922-B2 Cyclobutane- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-05-25 US disclosed
US-20140349968-A1 Compositions and Methods for Treating Cancer ARIAD PHARMACEUTICALS, INC. (US) 2014-11-27 US disclosed
US-20140349968-A1 Compositions and Methods for Treating Cancer ARIAD PHARMACEUTICALS, INC. (US) 2014-11-27 US disclosed
US-20120289481-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER MERCK SHARP & DOHME CORP. 2012-11-15 US disclosed
US-20120289481-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER MERCK SHARP & DOHME CORP. 2012-11-15 US disclosed
EP-1252162-B1 ALPHA V INTEGRIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2012-07-25 EP disclosed
EP-1252162-A4 ALPHA V INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2003-06-11 EP disclosed
EP-1252162-A1 ALPHA V INTEGRIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2002-10-30 EP disclosed
US-6472403-B2 IMIDAZOLIDIN-2-ONE DERIVATIVES; INHIBITING BONE RESORPTION, VASCULAR RESTENOSIS, DIABETIC RETINOPATHY, MACULAR DEGENERATION, ANGIOGENESIS, ATHEROSCLEROSIS, INFLAMMATION, ARTHRITIS, VIRAL DISEASE, CANCER AND METASTATIC TUMOR GROWTH MERCK & CO., INC. 2002-10-29 US disclosed
US-20020037889-A1 Alpha V integrin receptor antagonists MERCK SHARP & DOHME CORP. 2002-03-28 US disclosed
WO-2001053297-A1 ALPHA V INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2001-07-26 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 (8 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-20120289481-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER MTOR, ITGB3, ITGB4 NPC1 1910/4885LMNA 3259/4885RAB9A 1102/4885
US-20140349968-A1 Compositions and Methods for Treating Cancer ITGB3, MTOR, ITGA2 NPC1 2482/4885LMNA 3011/4885RAB9A 1716/4885
US-20210246136-A1 CYCLOBUTANES- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS ITGB1, ITGAV, ITGA1 NPC1 1288/4885LMNA 2806/4885RAB9A 301/4885
US-11028071-B2 Indazole derivatives as alpha v integrin antagonists ITGAV, ITGB1, ITGB3 NPC1 1454/4885LMNA 2016/4885RAB9A 914/4885
US-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors ITGB1, ITGB2, ITGA1 NPC1 1247/4885LMNA 2992/4885RAB9A 329/4885
US-20020037889-A1 Alpha V integrin receptor antagonists ITGAV, ITGB3, ITGA5 NPC1 3180/4885LMNA 3114/4885RAB9A 762/4885
US-11014922-B2 Cyclobutane- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors ITGB1, ITGB2, ITGA1 NPC1 1108/4885LMNA 3224/4885RAB9A 298/4885
US-20210188847-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS ITGAV, ITGB3, ITGB1 NPC1 2252/4885LMNA 2019/4885RAB9A 1057/4885

“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.