SCHEMBL2439698

SCHEMBL2439698

COC(=O)Cc1cc(Cl)c(N)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.42
ALDH1A1 P00352 2/20 0.42
GFER P55789 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
HSP90AB1 P08238 1/20 0.38
LMNA P02545 2/20 0.37
RORC P51449 1/20 0.37
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
NPC1 O15118 1/20 0.36
HTR3E A5X5Y0 1/20 0.35
SLC22A1 O15245 1/20 0.35
HTR3B O95264 1/20 0.35
MPO P05164 1/20 0.35
CYP1A2 P05177 1/20 0.35
ADRA2A P08913 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL31726440 0.85 GAA (0.45) GAAALDH1A1GFERHSP90AB1LMNA
SCHEMBL2433074 0.85 SMN1; SMN2 (0.38) SMN1; SMN2MEN1KMT2A
Acetic Acid SCHEMBL5188785 0.81 SMN1; SMN2 (0.36) SMN1; SMN2MEN1KMT2A
SCHEMBL10714231 0.81 GAA (0.42) GAAALDH1A1GFERSMN1; SMN2MEN1
SCHEMBL5357198 0.80 AKR1B1 (0.40) GAA
SCHEMBL1626248 0.80 GAA (0.46) GAAALDH1A1GFERHSP90AB1LMNA
SCHEMBL328578 0.80 ALDH1A1 (0.46) GAAALDH1A1GFERHSP90AB1RORC
SCHEMBL7976543 0.79 ALDH1A1 (0.54) GAAALDH1A1GFERHSP90AB1RORC
SCHEMBL17466148 0.79 SMN1; SMN2 (0.43) GAAALDH1A1SMN1; SMN2MEN1MAPT
SCHEMBL16069541 0.78 MTNR1A (0.48) ALDH1A1SMN1; SMN2MAPTKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1346982-B1 VLA-4 INHIBITORS DAIICHI SEIYAKU CO (JP) 2011-09-14 EP disclosed
CN-100471838-C VLA-4 inhibitors DAIICHI SEIYAKU CO (JP) 2009-03-25 CN disclosed
CN-100396680-C Vla-4 inhibitors DAICHI PHARMACEUTICAL CO LTD (JP) 2008-06-25 CN disclosed
US-7157487-B2 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 US disclosed
CN-1699363-A Vla-4 inhibitors DAICHI PHARMACEUTICAL CO LTD (JP) 2005-11-23 CN disclosed
US-20040110945-A1 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-10 US disclosed
CN-1483024-A Vla-4 inhibitors ��һ��������ҩ��ʽ���� 2004-03-17 CN disclosed
EP-1346982-A1 VLA-4 INHIBITORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-09-24 EP 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-20040110945-A1 Vla-4 inhibitors VCAM1, ITGA1, ITGB4 GAA 3552/4885ALDH1A1 981/4885GFER 1389/4885

“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.