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Sugi Predict / Compounds / SCHEMBL14726648

SCHEMBL14726648

SCHEMBL14726648

C[C@H](NC(=O)OC(C)(C)C)C(=O)Cc1cccc(Cl)c1C(=O)Nc1ccc2ccccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KAT6A Q92794 1/20 0.41
▸ ITGB1 P05556 2/20 0.40
▸ ITGA4 P13612 2/20 0.40
▸ RAB9A P51151 11/20 0.39
▸ NPC1 O15118 10/20 0.39
▸ MEN1 O00255 6/20 0.39
▸ KMT2A Q03164 6/20 0.39
▸ GAA P10253 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ PARG Q86W56 1/20 0.39
▸ CASP3 P42574 2/20 0.39
▸ SENP8 Q96LD8 2/20 0.39
▸ SENP7 Q9BQF6 2/20 0.39
▸ SENP6 Q9GZR1 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ CTSB P07858 1/20 0.38
▸ CTSS P25774 1/20 0.38

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
SCHEMBL28993006 0.89 ITGB1 (0.43) ITGB1ITGA4RAB9AGAAMAPT
SCHEMBL10353528 0.89 ITGB1 (0.43) ITGB1ITGA4RAB9AGAAMAPT
SCHEMBL20061313 0.89 ITGB1 (0.43) ITGB1ITGA4RAB9AGAAMAPT
SCHEMBL29440976 0.89 ITGB1 (0.43) ITGB1ITGA4RAB9AGAAMAPT
SCHEMBL14726646 0.88 TYK2 (0.40) ITGB1ITGA4RAB9ANPC1MEN1
SCHEMBL14726516 0.88 ITGB1 (0.42) ITGB1ITGA4RAB9AMEN1KMT2A
SCHEMBL14726606 0.87 RAB9A (0.44) ITGB1ITGA4RAB9ANPC1MEN1
SCHEMBL14726578 0.87 MAPT (0.42) ITGB1ITGA4RAB9ANPC1GAA
SCHEMBL14726514 0.87 ITGB1 (0.44) ITGB1ITGA4RAB9ANPC1MEN1
SCHEMBL14726616 0.87 ITGB1 (0.38) ITGB1ITGA4KDM4ETYK2

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 KAT6A 2322/4885ITGB1 3082/4885ITGA4 3037/4885
US-20130053362-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AKT3, PIK3CA, AKT1 KAT6A 2322/4885ITGB1 3082/4885ITGA4 3037/4885
US-20170137407-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AKT3, PIK3CA, AKT1 KAT6A 2322/4885ITGB1 3082/4885ITGA4 3037/4885

“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.