SCHEMBL14558135

SCHEMBL14558135

CC(Cc1cncc(CN(C)C(C)C)c1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 2/20 0.45
▸ LMNA P02545 2/20 0.42
▸ HPGD P15428 1/20 0.37
▸ SLC22A12 Q96S37 1/20 0.36
▸ PPARG P37231 1/20 0.35
▸ PTGES O14684 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC10 Q969S8 1/20 0.33
▸ HDAC11 Q96DB2 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ HDAC9 Q9UKV0 1/20 0.33
▸ HDAC5 Q9UQL6 1/20 0.33
▸ FFAR1 O14842 2/20 0.33
▸ ADRA2B P18089 1/20 0.32
▸ ADRA2C P18825 1/20 0.32

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
SCHEMBL14558096 0.81 HPGD (0.48) TBXAS1LMNAHPGDFFAR1ADRA2B
SCHEMBL24900110 0.76 TBXAS1 (0.50) TBXAS1LMNASLC22A12PPARGFFAR1
SCHEMBL18080782 0.75 TBXAS1 (0.49) TBXAS1LMNASLC22A12FFAR1FFAR4
SCHEMBL14558117 0.71 PPARD (0.40) TBXAS1HPGDPPARG
SCHEMBL14610928 0.68 HPGD (0.50) TBXAS1LMNAHPGDFFAR1
SCHEMBL7656354 0.67 PNP (0.36) —
SCHEMBL15947894 0.67 TBXAS1 (0.80) TBXAS1LMNAFDPS
SCHEMBL266473 0.67 TBXAS1 (0.80) TBXAS1LMNAFDPS
SCHEMBL14732861 0.67 TBXAS1 (0.80) TBXAS1LMNAFDPS
SCHEMBL8257100 0.67 TBXAS1 (0.53) TBXAS1HPGDFFAR1

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 3 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-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 TBXAS1 149/4885LMNA 2312/4885HPGD 4172/4885

“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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