SCHEMBL5852207

SCHEMBL5852207

Cc1ccc(NC(=O)OCc2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.68
RAB9A P51151 7/20 0.63
NPC1 O15118 6/20 0.63
TP53 P04637 2/20 0.62
MAPT P10636 2/20 0.62
KDM1A O60341 2/20 0.60
MAOA P21397 2/20 0.60
MAOB P27338 2/20 0.60
MGLL Q99685 1/20 0.60
ROCK2 O75116 1/20 0.59
RCOR1 Q9UKL0 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.57
ALDH1A1 P00352 1/20 0.57
TSHR P16473 1/20 0.57
ATM Q13315 1/20 0.57
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
HPGD P15428 1/20 0.55
CRHBP P24387 1/20 0.55
CRHR2 Q13324 1/20 0.55

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
Benzyl Phenylcarbamate SCHEMBL1222943 0.88 POLB (0.78) POLBRAB9ANPC1TP53MAPT
SCHEMBL27562443 0.87 POLB (0.68) POLBRAB9ANPC1TP53MAPT
SCHEMBL1870929 0.87 POLB (0.71) POLBRAB9ANPC1TP53MAPT
SCHEMBL592715 0.86 POLB (0.66) POLBRAB9ANPC1TP53MAPT
SCHEMBL13411035 0.86 NPC1 (0.56) POLBRAB9ANPC1TP53MAPT
SCHEMBL23917849 0.86 ALDH1A1 (0.69) POLBRAB9ANPC1TP53MAPT
SCHEMBL13411036 0.86 NPC1 (0.56) POLBRAB9ANPC1TP53MAPT
SCHEMBL10598558 0.85 POLB (0.69) POLBRAB9ANPC1TP53MAPT
SCHEMBL14678651 0.85 RAB9A (0.56) POLBRAB9ANPC1TP53MAPT
SCHEMBL10595799 0.84 POLB (0.73) POLBRAB9ANPC1TP53MAPT

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-6630512-B2 Antiinflammatory agents; autoimmune disease BIOGEN, INC. 2003-10-07 US claimed
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
US-6306840-B1 ANTISTICKING AGENTS OF OLIGOPEPTIDES BIOGEN, INC. 2001-10-23 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-2017214005-A1 2-(BENZOTHIAZOL-2-YL)-2-CYANO-ACETAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIAL LIPASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-12-14 WO disclosed
US-20150210696-A1 PROTEIN KINASE INHIBITORS GB005, INC. 2015-07-30 US disclosed
US-20150166568-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-18 US disclosed
US-8530505-B2 Substituted oxazolidinones and their use in the field of blood coagulation BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-09-10 US disclosed
CN-101090902-B Cgrp receptor antagonists MERCK SHARP & DOHME 2013-05-29 CN 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 (4 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-20150210696-A1 PROTEIN KINASE INHIBITORS PDGFRA, PDGFRB, KDR POLB 4172/4885RAB9A 1817/4885NPC1 4450/4885
US-20030083267-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM POLB 4750/4885RAB9A 1779/4885NPC1 2649/4885
US-20030018016-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM POLB 4750/4885RAB9A 1779/4885NPC1 2649/4885
US-20150166568-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION F2, F11, F13B POLB 1473/4885RAB9A 3279/4885NPC1 3746/4885

“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.