SCHEMBL29612679

SCHEMBL29612679

Cc1ccccc1NC(=O)Nc1ccc(CC(=O)O)cc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 12/20 0.67
ITGA4 P13612 11/20 0.67
POLB P06746 2/20 0.67
FFAR1 O14842 1/20 0.63
MAPT P10636 2/20 0.59
RAB9A P51151 2/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
NPC1 O15118 1/20 0.59
HTT P42858 1/20 0.59
DDX3X O00571 1/20 0.59
HPGD P15428 1/20 0.59
KDM4E B2RXH2 1/20 0.58
ITGB3 P05106 1/20 0.57
ITGAV P06756 1/20 0.57
ITGA5 P08648 1/20 0.57

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
SCHEMBL3485567 1.00 ITGB1 (0.67) ITGB1ITGA4POLBFFAR1MAPT
SCHEMBL14558951 0.89 FFAR1 (0.60) ITGB1ITGA4POLBFFAR1MEN1
SCHEMBL8231040 0.88 ITGB1 (0.61) ITGB1ITGA4POLBMAPTRAB9A
SCHEMBL20808405 0.87 ITGB1 (0.59) ITGB1ITGA4POLBMAPTRAB9A
SCHEMBL5154921 0.86 ALDH1A1 (0.64) ITGB1ITGA4POLBFFAR1MAPT
SCHEMBL18472821 0.86 ITGB1 (0.58) ITGB1ITGA4POLBMAPTRAB9A
SCHEMBL7381546 0.86 ITGB1 (0.71) ITGB1ITGA4POLBMAPTRAB9A
SCHEMBL5155328 0.85 ITGB1 (0.57) ITGB1ITGA4POLBMEN1KMT2A
SCHEMBL14561170 0.85 RAB9A (0.67) ITGB1ITGA4POLBMAPTRAB9A
SCHEMBL7104543 0.85 RAB9A (0.62) ITGB1ITGA4MAPTRAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12569506-B2 Methods of treating osteonecrosis with LLP2A-bisphosphonate compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2026-03-10 US disclosed
CN-119930738-A The method comprises the following steps of68Ga-marked molecular probe targeting VLA-4, preparation method and application thereof 江苏省原子医学研究所 2025-05-06 CN disclosed
CN-119486739-A α4β1/7Integrin ligand conjugated compounds and uses thereof 阿达尔克斯制药有限公司 2025-02-18 CN disclosed
CN-112672747-B Peptides for activating cell signaling in osteoprogenitor cells 加利福尼亚大学董事会 2025-02-18 CN disclosed
EP-4504196-A1 ALPHA4BETA1/7 INTEGRIN LIGAND CONJUGATED COMPOUNDS AND USES THEREOF Adarx Pharmaceuticals, Inc. (US) 2025-02-12 EP disclosed
WO-2023196342-A1 α4β1/7 INTEGRIN LIGAND CONJUGATED COMPOUNDS AND USES THEREOF ADARX PHARMACEUTICALS, INC. (US) 2023-10-12 WO disclosed
CN-114159580-A Treatment of inflammation with LLP 2A-bisphosphonate conjugates and mesenchymal stem cells 加利福尼亚大学董事会 2022-03-11 CN 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-12569506-B2 Methods of treating osteonecrosis with LLP2A-bisphosphonate compounds ADIPOR2, BST2, ALPP ITGB1 1427/4885ITGA4 1129/4885POLB 3968/4885

“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.