SCHEMBL5852053

SCHEMBL5852053

Cc1ccc(NC(=O)N2CCOCC2)cc1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.73
SMN1; SMN2 Q16637 5/20 0.71
RAB9A P51151 5/20 0.71
NPC1 O15118 3/20 0.71
CYP2C9 P11712 1/20 0.71
CYP2C19 P33261 1/20 0.71
MEN1 O00255 3/20 0.70
KMT2A Q03164 3/20 0.70
TP53 P04637 1/20 0.70
ESR2 Q92731 1/20 0.70
BLM P54132 1/20 0.70
MAPT P10636 1/20 0.68
HPGD P15428 1/20 0.68
NPSR1 Q6W5P4 1/20 0.68
ALDH1A1 P00352 2/20 0.66
LMNA P02545 1/20 0.63
MLYCD O95822 1/20 0.62
KDM4E B2RXH2 1/20 0.62
TSHR P16473 1/20 0.60

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
SCHEMBL23486687 0.88 TSHR (0.66) GAASMN1; SMN2RAB9ANPC1CYP2C9
SCHEMBL27652942 0.88 NPC1 (0.83) GAASMN1; SMN2RAB9ANPC1MEN1
SCHEMBL8312462 0.87 GAA (0.73) GAASMN1; SMN2RAB9ANPC1CYP2C9
SCHEMBL23486691 0.86 TSHR (0.60) GAASMN1; SMN2RAB9ANPC1CYP2C9
SCHEMBL13148219 0.85 ALDH1A1 (0.64) GAASMN1; SMN2RAB9ANPC1CYP2C9
SCHEMBL25681592 0.85 GAA (1.00) GAASMN1; SMN2RAB9ANPC1CYP2C9
SCHEMBL6037506 0.84 RAB9A (0.96) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL1575550 0.84 RAB9A (0.55) GAASMN1; SMN2RAB9ANPC1CYP2C9
SCHEMBL2475796 0.83 GAA (0.73) GAASMN1; SMN2RAB9ANPC1CYP2C9
SCHEMBL8769380 0.83 GAA (0.73) GAASMN1; SMN2RAB9ANPC1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-20030083267-A1 Cell adhesion inhibitors BIOGEN, INC., A MASSACHUSETTS CORPORATION 2003-05-01 US claimed
US-20030018016-A1 Cell adhesion inhibitors BIOGEN IDEC MA, INC. 2003-01-23 US claimed
EP-0805796-B1 CELL ADHESION INHIBITORS BIOGEN INC (US) 2002-12-11 EP claimed
US-6376538-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES BIOGEN, INC. 2002-04-23 US claimed
EP-0805796-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1997-11-12 EP claimed
WO-1996022966-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1996-08-01 WO claimed
WO-2023144736-A1 COMPOSITIONS FOR PREVENTING OR TREATING PULMONARY ARTERIAL HYPERTENSION CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2023-08-03 WO disclosed
WO-2023144737-A1 COMPOSITIONS FOR PREVENTING OR TREATING HEART FAILURE (HF) CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2023-08-03 WO disclosed
WO-2023031775-A1 COMPOSITIONS FOR PREVENTING OR TREATING CHARCOT-MARIE-TOOTH DISEASE (CMT) CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2023-03-09 WO disclosed
US-9056851-B2 Thiolactone antibiotics THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2015-06-16 US disclosed
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
US-7973069-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-07-05 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-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS GAA 163/4885SMN1; SMN2 4525/4885RAB9A 3975/4885
US-20030083267-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM GAA 2920/4885SMN1; SMN2 3410/4885RAB9A 1779/4885
US-20030018016-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM GAA 2920/4885SMN1; SMN2 3410/4885RAB9A 1779/4885

“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.