SCHEMBL2437756

SCHEMBL2437756

COC(=O)Cc1ccc(N=C=S)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
GAA P10253 1/20 0.44
GFER P55789 1/20 0.44
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HSP90AB1 P08238 1/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 2/20 0.40
TSHR P16473 2/20 0.39
HPGD P15428 1/20 0.39
CA2 P00918 1/20 0.39
LDHA P00338 1/20 0.38
SLC7A5 Q01650 1/20 0.37

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
SCHEMBL14092122 0.82 ALDH1A1 (0.49) ALDH1A1GAAGFERCYP4F2CYP4A11
SCHEMBL30632630 0.77 TSHR (0.62) ALDH1A1GAAGFERCYP4F2CYP4A11
SCHEMBL298044 0.77 TSHR (0.62) ALDH1A1GAAGFERCYP4F2CYP4A11
SCHEMBL1968518 0.75 ALDH1A1 (0.47) ALDH1A1GAANPC1RAB9ALMNA
SCHEMBL31371297 0.75 CYP3A4 (0.44) ALDH1A1LMNATSHRHPGDCA2
SCHEMBL5522734 0.75 ALDH1A1 (0.50) ALDH1A1GAAGFERCYP4F2CYP4A11
SCHEMBL11627635 0.74 SLC7A5 (0.48) ALDH1A1GAAGFERCYP4F2CYP4A11
SCHEMBL2003361 0.74 ALDH1A1 (0.66) ALDH1A1GAAGFERCYP4F2CYP4A11
SCHEMBL10229485 0.74 ALDH1A1 (0.53) ALDH1A1GAAGFERCYP4F2CYP4A11
SCHEMBL1093254 0.74 MAPT (0.43) ALDH1A1CYP4F2CYP4A11NPC1RAB9A

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 ALDH1A1 981/4885GAA 3552/4885GFER 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.