SCHEMBL4440972

SCHEMBL4440972

Cc1cccc(C(=O)O)c1Sc1ccccc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.53
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA4 P22748 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 4/20 0.50
HPGD P15428 2/20 0.50
HSD17B10 Q99714 2/20 0.50
MYC P01106 1/20 0.50
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP1A2 P05177 2/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
TDP1 Q9NUW8 2/20 0.45

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
SCHEMBL18641365 0.87 MYC (0.49) POLBCA12CA1CA2CA4
SCHEMBL6037796 0.87 POLB (0.63) POLBCA12CA1CA2CA4
SCHEMBL19847390 0.84 ALDH1A1 (0.52) POLBKDM4EALDH1A1HPGDHSD17B10
SCHEMBL1041999 0.84 POLB (0.59) POLBCA12CA1CA2CA4
SCHEMBL28575995 0.80 HPGD (0.56) HPGDHSD17B10CYP2C9KMT2AHTT
SCHEMBL10814347 0.80 POLB (0.50) POLBCA12CA1CA2CA4
SCHEMBL6224766 0.80 ALDH1A1 (0.59) POLBCA12CA1CA2CA4
SCHEMBL1482567 0.79 POLB (0.74) POLBCA12CA1CA2CA4
SCHEMBL29888792 0.79 POLB (0.74) POLBCA12CA1CA2CA4
SCHEMBL8325236 0.78 ALDH1A1 (0.57) POLBCA12CA1CA2CA4

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 POLB 2907/4885CA12 967/4885CA1 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.