SCHEMBL5852210

SCHEMBL5852210

Cc1ccc(NC(=O)Nc2ccccc2C(C)C)cc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.68
CA1 P00915 4/20 0.68
CA2 P00918 4/20 0.68
CA9 Q16790 4/20 0.68
LPAR1 Q92633 3/20 0.63
RAB9A P51151 2/20 0.60
RECQL P46063 1/20 0.56
STING1 Q86WV6 1/20 0.52
IDO1 P14902 1/20 0.52
CASR P41180 1/20 0.50
MAPT P10636 1/20 0.50
CXCR2 P25025 1/20 0.50
RAF1 P04049 1/20 0.50
NPC1 O15118 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL15132980 0.84 CA12 (0.64) CA12CA1CA2CA9LPAR1
SCHEMBL14726215 0.81 CA12 (0.76) CA12CA1CA2CA9LPAR1
SCHEMBL672994 0.81 CA2 (1.00) CA12CA1CA2CA9
SCHEMBL24691558 0.81 LPAR1 (0.55) CA12CA1CA2CA9LPAR1
SCHEMBL5852186 0.80 DDX3X (0.70) RAB9ASTING1MAPTCXCR2NPC1
SCHEMBL3154364 0.79 P2RY1 (0.79) CA12CA1CA2CA9IDO1
SCHEMBL30042455 0.79 P2RY1 (0.79) CA12CA1CA2CA9IDO1
SCHEMBL11004024 0.79 LPAR1 (0.60) CA12CA1CA2CA9LPAR1
SCHEMBL27578685 0.79 MEN1 (0.64) CA12CA1CA2CA9LPAR1
SCHEMBL14162916 0.78 RECQL (0.68) CA12CA1CA2CA9LPAR1

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 19 patents. 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-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
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
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 CA12 1927/4885CA1 2142/4885CA2 2844/4885
US-20030083267-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM CA12 1927/4885CA1 2142/4885CA2 2844/4885
US-20030018016-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM CA12 1927/4885CA1 2142/4885CA2 2844/4885

“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.