SCHEMBL14558092

SCHEMBL14558092

CC(C)NCc1cccc(CCC(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 1/20 0.50
▸ PTPRB P23467 1/20 0.49
▸ CDC25A P30304 1/20 0.49
▸ CDC25B P30305 1/20 0.49
▸ PTEN P60484 1/20 0.49
▸ PTPMT1 Q8WUK0 1/20 0.49
▸ FFAR1 O14842 10/20 0.48
▸ FFAR4 Q5NUL3 3/20 0.48
▸ PPARG P37231 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ MEP1B Q16820 2/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL17083287 0.84 MEN1 (0.50) FFAR1MEN1KMT2AMEP1B
SCHEMBL14569569 0.82 KEAP1 (0.55) KEAP1PTPRBCDC25ACDC25BPTEN
SCHEMBL11794365 0.81 SLC2A1 (0.57) MEN1KMT2AMEP1B
SCHEMBL70271 0.81 KEAP1 (0.74) KEAP1PTPRBCDC25ACDC25BPTEN
Hydrochloric Acid SCHEMBL10982620 0.79 KEAP1 (0.71) KEAP1PTPRBCDC25ACDC25BPTEN
SCHEMBL7357611 0.79 KEAP1 (0.55) KEAP1PTPRBCDC25ACDC25BPTEN
SCHEMBL28750453 0.79 KEAP1 (0.55) KEAP1PTPRBCDC25ACDC25BPTEN
SCHEMBL14558107 0.78 FFAR1 (0.51) FFAR1MEN1KMT2AMEP1B
SCHEMBL12871186 0.78 FFAR1 (0.55) KEAP1PTPRBCDC25ACDC25BPTEN
SCHEMBL17788675 0.78 MEP1B (0.71) MEP1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070054909-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 — — US disclosed
US-7179819-B2 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-20 — — 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 (1 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-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 KEAP1 2081/4885PTPRB 651/4885CDC25A 1454/4885

“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.

Send feedback