SCHEMBL14726669

SCHEMBL14726669

Cc1cccc(Cl)c1C(=O)NC(C)C

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 1/20 0.55
UTS2R Q9UKP6 1/20 0.53
ITGB1 P05556 10/20 0.52
ITGA4 P13612 10/20 0.52
ITGB7 P26010 5/20 0.52
ITGA2 P17301 1/20 0.52
ITGB2 P05107 1/20 0.48
ICAM1 P05362 1/20 0.48
ITGAL P20701 1/20 0.48
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ABL1 P00519 1/20 0.43
SRC P12931 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
SCHEMBL11056940 0.89 ALDH1A1 (0.49) TYK2ITGB1ITGA4ALDH1A1POLB
Water SCHEMBL7924276 0.87 TAS1R3 (0.47) TYK2ITGB1ITGA4ALDH1A1POLB
SCHEMBL1926917 0.87 L3MBTL1 (0.54) ITGB2ICAM1ITGALALDH1A1HPGD
SCHEMBL14500983 0.85 ITGB1 (0.55) TYK2UTS2RITGB1ITGA4ITGB7
SCHEMBL18885328 0.81 ITGB2 (0.58) TYK2ITGB2ICAM1ITGALALDH1A1
SCHEMBL551795 0.80 PBRM1 (0.49) ITGB1ITGA4ITGB2ICAM1ITGAL
SCHEMBL25607327 0.79 ITGB1 (0.47) ITGB1ITGA4ITGB2ICAM1ITGAL
SCHEMBL7852285 0.79 TSHR (0.43) TYK2ALDH1A1POLBHPGDL3MBTL1
SCHEMBL4370150 0.79 TYK2 (0.58) TYK2UTS2RITGB1ITGA4ITGB7
SCHEMBL5022094 0.78 TYK2 (0.57) TYK2ITGB1ITGA4ITGB7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208968-A1 ALPHA V BETA 6 AND ALPHA V BETA 1 INTEGRIN INHIBITORS AND USES THEREOF DICE MOLECULES SV, INC. 2024-06-27 US disclosed
US-20230159446-A1 Methods and Compositions for Targeting Tregs using CCR8 Inhibitors NANJING IMMUNOPHAGE BIOMEDICAL CO., LTD. (CN) 2023-05-25 US disclosed
US-20230038589-A1 Methods and compositions for targeting Tregs using CCR8 inhibitors Nanjing Immunophage Biotech Co., Ltd. (CN) 2023-02-09 US disclosed
US-20170137407-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2017-05-18 US disclosed
US-20170137407-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2017-05-18 US disclosed
US-9546180-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-01-17 US disclosed
US-9546180-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-01-17 US disclosed
US-9115141-B2 Substituted isoquinolinones and methods of treatment thereof INFINITY PHARMACEUTICALS, INC. (US) 2015-08-25 US disclosed
US-9115141-B2 Substituted isoquinolinones and methods of treatment thereof INFINITY PHARMACEUTICALS, INC. (US) 2015-08-25 US disclosed
US-20140288048-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2014-09-25 US disclosed
US-20140288048-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2014-09-25 US disclosed
US-8785470-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2014-07-22 US disclosed
US-8785470-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2014-07-22 US disclosed
WO-2013032591-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS INC. (US) 2013-03-07 WO disclosed
US-20130053362-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLKINE, LLC (US) 2013-02-28 US disclosed
US-20130053362-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLKINE, LLC (US) 2013-02-28 US 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 (6 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-20140288048-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AKT3, PIK3CA, AKT1 TYK2 597/4885UTS2R 4335/4885ITGB1 3082/4885
US-20240208968-A1 ALPHA V BETA 6 AND ALPHA V BETA 1 INTEGRIN INHIBITORS AND USES THEREOF ITGB1, ITGA1, ITGAV TYK2 946/4885UTS2R 2825/4885ITGB1 1/4885
US-20230159446-A1 Methods and Compositions for Targeting Tregs using CCR8 Inhibitors CCR8, CCR1, CCR3 TYK2 2115/4885UTS2R 1436/4885ITGB1 1209/4885
US-20130053362-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AKT3, PIK3CA, AKT1 TYK2 597/4885UTS2R 4335/4885ITGB1 3082/4885
US-20170137407-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AKT3, PIK3CA, AKT1 TYK2 597/4885UTS2R 4335/4885ITGB1 3082/4885
US-20230038589-A1 Methods and compositions for targeting Tregs using CCR8 inhibitors CCR8, CCR1, CCR3 TYK2 2115/4885UTS2R 1436/4885ITGB1 1209/4885

“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.