SCHEMBL5099200

SCHEMBL5099200

COc1cc(CC(=O)O)c(Br)cc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.53
ALDH1A1 P00352 1/20 0.53
TSHR P16473 1/20 0.53
NFKB1 P19838 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
TRPV1 Q8NER1 1/20 0.51
HSD17B10 Q99714 1/20 0.49
POLB P06746 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ABL1 P00519 1/20 0.45
MAPT P10636 1/20 0.45
RECQL P46063 1/20 0.45
RIN1 Q13671 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CA9 Q16790 1/20 0.44
MTNR1A P48039 1/20 0.43

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
SCHEMBL1096991 0.93 GAA (0.53) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL30554807 0.88 CA1 (0.55) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL1098115 0.88 CA1 (0.55) GAAALDH1A1TSHRNFKB1TDP1
Undecanoate SCHEMBL7825220 0.87 TRPV1 (0.65) ALDH1A1TSHRTRPV1KMT2ACYP3A4
SCHEMBL5093792 0.85 TRPV1 (0.53) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL3688663 0.84 TRPV1 (0.52) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL1097015 0.83 HSD17B10 (0.49) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL2774619 0.83 LCK (0.54) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL3853625 0.83 PKM (0.50) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL1098529 0.82 HSD17B10 (0.47) GAAALDH1A1TSHRNFKB1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7348017-B2 Dithiazole compounds, matrix metalloprotease inhibitors and external preparations for the skin SHISEIDO CO., LTD. (JP) 2008-03-25 US disclosed
EP-1422224-B1 DITHIAZOLE COMPOUNDS, MATRIX METALLOPROTEASE INHIBITORS AND EXTERNAL PREPARATIONS FOR THE SKIN SHISEIDO CO LTD (JP) 2007-12-19 EP 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-1192015-C Cell adhesion inhibitors BIOGEN INC (US) 2005-03-09 CN disclosed
US-20040236111-A1 Dithiazole compounds, matrix metalloprotease inhibitors and external preparations for the skin SHISEIDO CO., LTD. (JP) 2004-11-25 US disclosed
EP-1422224-A1 DITHIAZOLE COMPOUNDS, MATRIX METALLOPROTEASE INHIBITORS AND EXTERNAL PREPARATIONS FOR THE SKIN Shiseido Co., Ltd. (JP) 2004-05-26 EP 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
CN-1177343-A Cell adhesion inhibitors BIOGEN INC (US) 1998-03-25 CN 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-20060166866-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM GAA 2920/4885ALDH1A1 450/4885TSHR 4335/4885
US-20040236111-A1 Dithiazole compounds, matrix metalloprotease inhibitors and external preparations for the skin MMP1, MMP2, MMP3 GAA 785/4885ALDH1A1 253/4885TSHR 2023/4885
US-20030083267-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM GAA 2920/4885ALDH1A1 450/4885TSHR 4335/4885
US-20030018016-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM GAA 2920/4885ALDH1A1 450/4885TSHR 4335/4885

“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.