SCHEMBL20021706

SCHEMBL20021706

CC(C)c1ccc(-c2ccn(C)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN5 P54829 2/20 0.40
▸ TYR P14679 1/20 0.39
▸ KIF11 P52732 1/20 0.38
▸ FFAR1 O14842 1/20 0.37
▸ KDM5B Q9UGL1 1/20 0.35
▸ NOTUM Q6P988 3/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ TP53 P04637 2/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ CYP17A1 P05093 3/20 0.35
▸ EGLN1 Q9GZT9 1/20 0.35
▸ MGLL Q99685 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NISCH Q9Y2I1 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ USP2 O75604 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33

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
SCHEMBL17678036 0.78 ALDH1A1 (0.50) KIF11NPC1RAB9ATP53KDM4E
SCHEMBL28730602 0.78 CYP1A2 (0.42) KIF11NOTUMNPC1RAB9ATP53
SCHEMBL18591736 0.78 AKT1 (0.36) CYP17A1
SCHEMBL24912727 0.77 RXRA (0.46) PTPN5TYRTP53KDM4EHPGD
SCHEMBL197335 0.76 KIF11 (0.52) PTPN5TYRKIF11FFAR1NOTUM
SCHEMBL18850046 0.76 LRRK2 (0.40) NPC1RAB9ATP53KDM4EHPGD
SCHEMBL24301433 0.76 ALDH1A1 (0.43) NPC1RAB9ACYP17A1HPGDCYP1A2
SCHEMBL863158 0.75 — —
SCHEMBL14679659 0.74 ALDH1A1 (0.42) NPC1RAB9ATP53KDM4EHPGD
SCHEMBL15527629 0.74 INMT (0.32) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11873295-B2 Allosteric chromenone inhibitors of phosphoinositide 3-kinase (PI3K) for the treatment of disease PETRA PHARMA CORPORATION (US) 2024-01-16 — — US disclosed
US-20230365556-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. (US) 2023-11-16 — — US disclosed
US-11673887-B2 N-acyl amino acid compounds and methods of use PLIANT THERAPEUTICS, INC. (US) 2023-06-13 — — US disclosed
US-20180093984-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2018-04-05 — — 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 (4 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-11673887-B2 N-acyl amino acid compounds and methods of use ITGA1, ITGB1, ITGAL PTPN5 2893/4885TYR 4458/4885KIF11 4178/4885
US-11873295-B2 Allosteric chromenone inhibitors of phosphoinositide 3-kinase (PI3K) for the treatment of disease PIK3CA, PIK3R4, PIK3R5 PTPN5 774/4885TYR 1118/4885KIF11 3302/4885
US-20230365556-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE ITGA1, ITGB1, ITGAL PTPN5 2893/4885TYR 4458/4885KIF11 4178/4885
US-20180093984-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE ITGA1, ITGB1, ITGAL PTPN5 2893/4885TYR 4458/4885KIF11 4178/4885

“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.

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