SCHEMBL5852237

SCHEMBL5852237

NC(C(=O)O)(C(=O)OCc1ccccc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.49
▸ HCAR2 Q8TDS4 1/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ SLC6A2 P23975 1/20 0.47
▸ SLC6A3 Q01959 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ LMNA P02545 2/20 0.45
▸ PTPN1 P18031 2/20 0.45
▸ PTPRC P08575 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ CA12 O43570 3/20 0.43
▸ CA9 Q16790 3/20 0.43
▸ CA1 P00915 2/20 0.43
▸ CA2 P00918 2/20 0.43
▸ MMP1 P03956 1/20 0.42
▸ MMP2 P08253 1/20 0.42
▸ MMP9 P14780 1/20 0.42

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
SCHEMBL27737064 0.83 ALDH1A1 (0.49) ALDH1A1HCAR2TDP1MAPK1L3MBTL1
SCHEMBL27558701 0.81 ALDH1A1 (0.46) ALDH1A1HCAR2TDP1MAPK1L3MBTL1
SCHEMBL27632395 0.81 ALDH1A1 (0.46) ALDH1A1HCAR2TDP1MAPK1L3MBTL1
SCHEMBL10554690 0.80 ALDH1A1 (0.53) ALDH1A1HCAR2TDP1MAPK1L3MBTL1
SCHEMBL27560896 0.80 ALDH1A1 (0.45) ALDH1A1HCAR2TDP1MAPK1L3MBTL1
SCHEMBL28918322 0.79 PTPN1 (0.49) ALDH1A1HCAR2TDP1MAPK1L3MBTL1
SCHEMBL28004355 0.79 ALDH1A1 (0.55) ALDH1A1HCAR2TDP1MAPK1L3MBTL1
SCHEMBL9293537 0.79 ALDH1A1 (0.47) ALDH1A1HCAR2TDP1MAPK1L3MBTL1
SCHEMBL8762498 0.79 ALDH1A1 (0.47) ALDH1A1HCAR2TDP1MAPK1L3MBTL1
SCHEMBL27513176 0.79 ALDH1A1 (0.47) ALDH1A1HCAR2TDP1MAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119528720-A Preparation method of rosin acid 上海球球云环保科技有限公司 2025-02-28 — — CN disclosed
US-20060166866-A1 Cell adhesion inhibitors BIOGEN, INC., A MASSACHUSETTS CORPORATION 2006-07-27 — — US disclosed
US-7001921-B1 Cell adhesion inhibitors BIOGEN IDEC MA INC. (US) 2006-02-21 — — US disclosed
CN-1732164-A Compositions useful as inhibitors of ROCK and other protein kinases VERTEX PHARMA (US) 2006-02-08 — — CN disclosed
US-6630512-B2 Antiinflammatory agents; autoimmune disease BIOGEN, INC. 2003-10-07 — — US disclosed
US-6624152-B2 Inhibition and prevention of cell adhesion and cell adhesion-mediated pathologies. This invention relates to pharmaceutical formulations comprising these compounds and methods of using them for inflammatory and autoimmune diseases BIOGEN, INC. 2003-09-23 — — US disclosed
US-20030083267-A1 Cell adhesion inhibitors BIOGEN, INC., A MASSACHUSETTS CORPORATION 2003-05-01 — — US disclosed
US-20030018016-A1 Cell adhesion inhibitors BIOGEN IDEC MA, INC. 2003-01-23 — — US disclosed
EP-0805796-B1 CELL ADHESION INHIBITORS BIOGEN INC (US) 2002-12-11 — — EP disclosed
US-6376538-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES BIOGEN, INC. 2002-04-23 — — US disclosed
US-6306840-B1 ANTISTICKING AGENTS OF OLIGOPEPTIDES BIOGEN, INC. 2001-10-23 — — US disclosed
EP-1142867-A2 Cell adhesion inhibitors BIOGEN, INC. (US) 2001-10-10 — — EP disclosed
EP-0805796-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1997-11-12 — — EP disclosed
WO-1996022966-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1996-08-01 — — 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-20060166866-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM ALDH1A1 450/4885HCAR2 437/4885TDP1 3364/4885
US-20030083267-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM ALDH1A1 450/4885HCAR2 437/4885TDP1 3364/4885
US-20030018016-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM ALDH1A1 450/4885HCAR2 437/4885TDP1 3364/4885

“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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