SCHEMBL3900686

SCHEMBL3900686

O=C(CBr)c1cc(Br)c(Cl)s1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 15/20 0.67
DAO P14920 2/20 0.38
STING1 Q86WV6 1/20 0.35
USP2 O75604 1/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
PTPN1 P18031 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
SCHEMBL4382710 0.85 GSK3B (0.70) GSK3BDAOSTING1ALDH1A1MAPT
SCHEMBL31593316 0.82 GSK3B (0.69) GSK3BDAOSTING1MEN1ALDH1A1
SCHEMBL6788481 0.80 GSK3B (1.00) GSK3BUSP2MEN1ALDH1A1MAPT
SCHEMBL1529502 0.78 DAO (0.63) GSK3BDAOMEN1ALDH1A1MAPT
SCHEMBL9777845 0.78 DAO (0.42) GSK3BDAOUSP2MEN1KMT2A
SCHEMBL30844757 0.77 GSK3B (0.67) GSK3BDAOSTING1MEN1ALDH1A1
SCHEMBL20486947 0.76 DAO (0.42) GSK3BDAOUSP2MAPT
SCHEMBL20487104 0.75 GSK3B (0.41) GSK3BDAOSTING1USP2MEN1
SCHEMBL7044853 0.74 DAO (0.44) GSK3BDAOSTING1USP2MEN1
SCHEMBL29745986 0.73 GSK3B (0.61) GSK3BSTING1USP2MEN1ALDH1A1

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-20090312313-A1 COMPOUND HAVING TGFBETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2009-12-17 US disclosed
US-7560558-B2 Compound having TGFβ inhibitory activity and medicinal composition containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2009-07-14 US disclosed
US-20060111375-A1 Compound having tgfß inhibitory activity and medicinal composition containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-05-25 US disclosed
EP-1548008-A1 COMPOUND HAVING TGF-BETA INHIBITORY ACTIVITY AND MEDICINAL COMPOSITION CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2005-06-29 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 (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-20060111375-A1 Compound having tgfß inhibitory activity and medicinal composition containing the same TGFB1, TGFBR1, TGFBR2 GSK3B 42/4885DAO 972/4885STING1 2007/4885
US-20090312313-A1 COMPOUND HAVING TGFBETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME TGFB1, TGFBR1, TGFBR2 GSK3B 37/4885DAO 902/4885STING1 2788/4885

“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.