SCHEMBL4437995

SCHEMBL4437995

O=C(O)c1cc(Cl)ccc1Sc1ccc(Cl)cc1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
TP53 P04637 1/20 0.61
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
TSHR P16473 2/20 0.55
CASP1 P29466 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HPGD P15428 3/20 0.54
HTT P42858 2/20 0.54
KDM4E B2RXH2 3/20 0.49
HSD17B10 Q99714 2/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 1/20 0.47
MYC P01106 2/20 0.47
NR4A1 P22736 1/20 0.47
PLA2G1B P04054 1/20 0.47
HSP90AA1 P07900 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47

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
SCHEMBL8530466 0.93 ALDH1A1 (0.58) ALDH1A1TP53CA1CA2TSHR
SCHEMBL8533569 0.91 HPGD (0.68) ALDH1A1TP53CA1CA2TSHR
SCHEMBL4439475 0.91 KDM4E (0.57) ALDH1A1TP53CA1CA2TSHR
SCHEMBL4441135 0.89 ALDH1A1 (0.50) ALDH1A1TP53CA1CA2TSHR
SCHEMBL823686 0.88 ALDH1A1 (0.61) ALDH1A1TP53CA1CA2TSHR
SCHEMBL20053804 0.84 ALDH1A1 (0.57) ALDH1A1TP53CA1CA2TSHR
SCHEMBL4002368 0.84 ALDH1A1 (0.69) ALDH1A1TP53CA1CA2TSHR
SCHEMBL11758969 0.83 RHEB (0.52) ALDH1A1TP53CA1CA2TSHR
SCHEMBL11765343 0.83 ALDH1A1 (0.47) ALDH1A1TP53CA1CA2TSHR
SCHEMBL8530044 0.82 ALDH1A1 (0.51) ALDH1A1TP53CA1CA2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2061754-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2009-05-27 EP disclosed
WO-2008115999-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-09-25 WO disclosed
US-20080234384-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-09-25 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-20080234384-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS FECH, SLC10A1, SLC40A1 ALDH1A1 844/4885TP53 3714/4885CA1 2030/4885

“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.