SCHEMBL1121230

SCHEMBL1121230

C#CCC(NC(=O)c1c(Cl)cccc1Cl)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 2/20 0.54
ICAM1 P05362 2/20 0.54
ITGAL P20701 2/20 0.54
ITGB1 P05556 16/20 0.53
ITGA4 P13612 15/20 0.53
ITGB7 P26010 5/20 0.51
ITGA2 P17301 1/20 0.51
ITGAV P06756 1/20 0.47
ITGA5 P08648 1/20 0.46

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
SCHEMBL1121092 0.84 ITGB1 (0.45) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL14532629 0.81 ITGB2 (0.60) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL22983958 0.81 ITGB2 (0.64) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL7545114 0.81 ITGB2 (0.57) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL31445679 0.81 ITGB2 (0.57) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL22983957 0.81 ITGB2 (0.64) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL7538961 0.80 ITGB1 (0.73) ITGB1ITGA4ITGB7ITGA2ITGAV
SCHEMBL7544739 0.80 ITGB2 (0.56) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL8804859 0.80 FOLH1 (0.50)
SCHEMBL4066390 0.79 L3MBTL1 (0.69) ITGB1ITGA4ITGB7ITGA2ITGA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9162988-B2 Therapeutic or prophylactic agent for allergic dermatitis TORAY INDUSTRIES, INC. (JP) 2015-10-20 US disclosed
US-20130150390-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR ALLERGIC DERMATITIS TORAY INDUSTRIES, INC. (JP) 2013-06-13 US disclosed
EP-1840121-B1 GLYCINE DERIVATIVE AND USE THEREOF TORAY INDUSTRIES (JP) 2012-08-29 EP disclosed
EP-2039687-B1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR MULTIPLE SCLEROSIS TORAY INDUSTRIES (JP) 2012-05-02 EP disclosed
EP-2042171-B1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR ALLERGIC DERMATITIS TORAY INDUSTRIES (JP) 2011-05-11 EP disclosed
US-7893046-B2 agent comprises as an effective ingredient a glycine derivative or a pharmaceutically acceptable salt thereof, for example [(E)-2-(2,6-dichlorobenzamido)-5-[4-(isopropyl-pyrimidin-2-ylamino)phenyl]pent-4-enoic acid] TORAY INDUSTRIES, INC. (JP) 2011-02-22 US disclosed
EP-2033637-B1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR LEUKEMIA TORAY INDUSTRIES (JP) 2011-02-09 EP disclosed
US-7879837-B2 administering glycine derivatives such as (E)-2-(2,6-dichlorobenzamido)-5-[4-(isopropyl-pyrimidin-2-ylamino)phenyl]pent-4-enoic acid, used for the treatment of nervous system disorders TORAY INDUSTRIES, INC. (JP) 2011-02-01 US disclosed
US-20090275599-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR MULTIPLE SCLEROSIS TORAY INDUSTRIES, INC. (JP) 2009-11-05 US disclosed
US-20090253724-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR LEUKEMIA TORAY INDUSTRIES, INC. (JP) 2009-10-08 US disclosed
US-7566724-B2 Glycine derivative and use thereof TORAY INDUSTRIES, INC. (JP) 2009-07-28 US disclosed
US-20090093508-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR ALLERGIC DERMATITIS TORAY INDUSTRIES, INC. (JP) 2009-04-09 US disclosed
EP-2042171-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR ALLERGIC DERMATITIS Toray Industries, Inc. (JP) 2009-04-01 EP disclosed
EP-2039687-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR MULTIPLE SCLEROSIS Toray Industries, Inc. (JP) 2009-03-25 EP disclosed
EP-2033637-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR LEUKEMIA Toray Industries, Inc. (JP) 2009-03-11 EP disclosed
US-20080085910-A1 Glycine Derivative and Use Thereof TORAY INDUSTRIES, INC. (JP) 2008-04-10 US disclosed
EP-1840121-A1 GLYCINE DERIVATIVE AND USE THEREOF TORAY INDUSTRIES, INC. (JP) 2007-10-03 EP 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 (5 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-20090093508-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR ALLERGIC DERMATITIS HRH2, TSLP, ENPEP ITGB2 2831/4885ICAM1 656/4885ITGAL 1442/4885
US-20130150390-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR ALLERGIC DERMATITIS HRH2, TSLP, ENPEP ITGB2 2831/4885ICAM1 656/4885ITGAL 1442/4885
US-20080085910-A1 Glycine Derivative and Use Thereof GNMT, SI, SLC7A11 ITGB2 3666/4885ICAM1 1109/4885ITGAL 3136/4885
US-20090275599-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR MULTIPLE SCLEROSIS PMP22, MGMT, ENPEP ITGB2 3790/4885ICAM1 558/4885ITGAL 2369/4885
US-20090253724-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR LEUKEMIA MCL1, ENPEP, SLC7A1 ITGB2 3518/4885ICAM1 930/4885ITGAL 1662/4885

“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.