SCHEMBL5152399

SCHEMBL5152399

CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc3ccccc3c2)C[C@H]1COc1ccc(CC(=O)O)cn1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 13/20 0.38
PRMT5 O14744 1/20 0.36
P2RX3 P56373 1/20 0.35
BDKRB2 P30411 1/20 0.35
GPR119 Q8TDV5 1/20 0.34
ABCB1 P08183 1/20 0.34
GABRA5 P31644 1/20 0.34

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
SCHEMBL5156899 0.85 GABRA5 (0.39) MCL1P2RX3BDKRB2GABRA5
SCHEMBL5156902 0.79 MCL1 (0.35) MCL1BDKRB2
SCHEMBL2431924 0.79 MEN1 (0.44) MCL1BDKRB2
SCHEMBL5156895 0.79 MEN1 (0.44) MCL1BDKRB2
SCHEMBL6208891 0.78 MCL1 (0.39) MCL1BDKRB2
SCHEMBL5153528 0.78 MCL1 (0.39) MCL1BDKRB2
SCHEMBL2435434 0.78 MCL1 (0.39) MCL1BDKRB2
SCHEMBL12021060 0.76 USP30 (0.45) MCL1GPR119ABCB1
SCHEMBL12037518 0.76 USP30 (0.45) MCL1GPR119ABCB1
SCHEMBL6208008 0.74 MCL1 (0.47) MCL1P2RX3

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-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
US-6756378-B2 BENZYL -UREA, -THIOUREA, OR -GUANIDINE DERIVATIVES THAT INHIBIT THE BINDING OF LIGANDS TO ALPHA 4 BETA 1 INTEGRIN (VLA-4) PHARMACOPEIA DRUG DISCOVERY, INC. 2004-06-29 US disclosed
US-20030078249-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-04-24 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 (2 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-20030078249-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGA4 MCL1 340/4885PRMT5 2194/4885P2RX3 2438/4885
US-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 MCL1 441/4885PRMT5 1631/4885P2RX3 1911/4885

“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.