SCHEMBL14726434

SCHEMBL14726434

C[C@H](NC(=O)OC(C)(C)C)C(=O)Cc1cccc(Cl)c1C(=O)Nc1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CASP3 P42574 1/20 0.42
CASP6 P55212 1/20 0.42
CASP8 Q14790 1/20 0.42
ITGB1 P05556 10/20 0.41
ITGA4 P13612 10/20 0.41
PABPC1 P11940 1/20 0.39
TLR8 Q9NR97 2/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ITGA2 P17301 1/20 0.37
ITGB7 P26010 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37

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
SCHEMBL14726516 0.92 ITGB1 (0.42) GAAMAPTRAB9ANPSR1ITGB1
SCHEMBL21980552 0.91 TLR7 (0.39) GAAMAPTRAB9ANPSR1CASP3
SCHEMBL14726583 0.91 TLR7 (0.39) GAAMAPTRAB9ANPSR1CASP3
SCHEMBL14726541 0.91 ITGB1 (0.42) GAAMAPTRAB9ANPSR1ITGB1
SCHEMBL29440976 0.91 ITGB1 (0.43) GAAMAPTRAB9ANPSR1CASP3
SCHEMBL20061313 0.91 ITGB1 (0.43) GAAMAPTRAB9ANPSR1CASP3
SCHEMBL28993006 0.91 ITGB1 (0.43) GAAMAPTRAB9ANPSR1CASP3
SCHEMBL10353528 0.91 ITGB1 (0.43) GAAMAPTRAB9ANPSR1CASP3
SCHEMBL14726578 0.90 MAPT (0.42) GAAMAPTRAB9ANPSR1ITGB1
SCHEMBL14726514 0.90 ITGB1 (0.44) GAAMAPTRAB9ANPSR1ITGB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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-20140288048-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AKT3, PIK3CA, AKT1 GAA 557/4885MAPT 1959/4885RAB9A 726/4885
US-20130053362-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AKT3, PIK3CA, AKT1 GAA 557/4885MAPT 1959/4885RAB9A 726/4885
US-20170137407-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AKT3, PIK3CA, AKT1 GAA 557/4885MAPT 1959/4885RAB9A 726/4885

“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.