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SCHEMBL14726640

SCHEMBL14726640

CC(C)OC(=O)c1cccc(NC(=O)c2c(Cl)cccc2CC(=O)[C@H](C)NC(=O)OC(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.47
▸ RAB9A P51151 6/20 0.47
▸ NPC1 O15118 5/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ HTT P42858 2/20 0.47
▸ LMNA P02545 4/20 0.38
▸ ANO1 Q5XXA6 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ ITGB1 P05556 1/20 0.37
▸ ITGA4 P13612 1/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ TYK2 P29597 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ HDAC3 O15379 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36

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
SCHEMBL14726638 0.94 RAB9A (0.44) MAPTRAB9ANPC1SMN1; SMN2HTT
SCHEMBL15888031 0.91 ADRB2 (0.40) MAPTRAB9ANPC1SMN1; SMN2HTT
SCHEMBL20061313 0.87 ITGB1 (0.43) MAPTRAB9AITGB1ITGA4NPSR1
SCHEMBL10353528 0.87 ITGB1 (0.43) MAPTRAB9AITGB1ITGA4NPSR1
SCHEMBL28993006 0.87 ITGB1 (0.43) MAPTRAB9AITGB1ITGA4NPSR1
SCHEMBL29440976 0.87 ITGB1 (0.43) MAPTRAB9AITGB1ITGA4NPSR1
SCHEMBL14726606 0.86 RAB9A (0.44) MAPTRAB9ANPC1SMN1; SMN2HTT
SCHEMBL14726516 0.84 ITGB1 (0.42) MAPTRAB9AITGB1ITGA4MEN1
SCHEMBL14726594 0.84 EPAS1 (0.43) MAPTHTTLMNAALDH1A1ITGB1
SCHEMBL14726578 0.84 MAPT (0.42) MAPTRAB9ANPC1SMN1; SMN2HTT

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 6 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-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-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-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 MAPT 1959/4885RAB9A 726/4885NPC1 1422/4885
US-20130053362-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AKT3, PIK3CA, AKT1 MAPT 1959/4885RAB9A 726/4885NPC1 1422/4885
US-20170137407-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AKT3, PIK3CA, AKT1 MAPT 1959/4885RAB9A 726/4885NPC1 1422/4885

“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.