SCHEMBL14558232

SCHEMBL14558232

CC(C)NCCNc1ccc(C(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
KMT2A Q03164 1/20 0.44
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
MITF O75030 2/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
ALDH1A1 P00352 3/20 0.40
HCAR3 P49019 2/20 0.40
HCAR2 Q8TDS4 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
EPHX2 P34913 1/20 0.39

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
SCHEMBL872409 0.78 HCAR3 (0.57) POLBFNTAFNTBTP53TSHR
SCHEMBL18236672 0.77 MAPT (0.54) TSHRALDH1A1MAPT
SCHEMBL11748691 0.77 PRSS1 (0.57) POLBFNTAFNTBTP53TSHR
SCHEMBL15592772 0.77 ALDH1A1 (0.50) KMT2AADRB1ADRB3ALDH1A1MAPT
SCHEMBL9322209 0.77 KMT2A (0.50) POLBKMT2AFNTAFNTBTSHR
SCHEMBL1530913 0.77 HCAR3 (0.58) POLBKMT2AFNTAFNTBADRB2
SCHEMBL1663499 0.76 TSHR (0.50) POLBKMT2AFNTAFNTBTP53
SCHEMBL15083052 0.76 MAPT (0.46) TP53TSHRCA1CA2ALDH1A1
SCHEMBL11069895 0.76 RARB (0.51) POLBFNTAFNTBHCAR3MAPK1
SCHEMBL11075874 0.76 RARB (0.51) POLBFNTAFNTBHCAR3MAPK1

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-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-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 POLB 4449/4885KMT2A 735/4885FNTA 352/4885

“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.