SCHEMBL4440732

SCHEMBL4440732

COc1ccc(Sc2ccccc2C(=O)O)c(C(=O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
ALDH1A1 P00352 4/20 0.52
TDP1 Q9NUW8 1/20 0.52
POLB P06746 2/20 0.50
AKR1C3 P42330 4/20 0.49
AKR1C2 P52895 4/20 0.49
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA4 P22748 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
AKR1B10 O60218 1/20 0.47
AKR1B1 P15121 1/20 0.47
AKR1C4 P17516 1/20 0.47
AKR1C1 Q04828 1/20 0.47
CDC25B P30305 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
SCHEMBL3187710 0.88 SLC6A2 (0.56) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL3177164 0.88 KDM4E (0.66) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1
Hydrochloric Acid SCHEMBL10672811 0.87 KDM4E (0.64) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1
Hydrochloric Acid SCHEMBL10672198 0.84 KDM4E (0.53) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL3183317 0.84 AKR1C3 (0.57) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL3192741 0.84 AKR1C3 (0.60) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4445158 0.83 SMN1; SMN2 (0.49) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL315581 0.83 NPC1 (0.59) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL5030912 0.82 EDNRA (0.55) KDM4ESMN1; SMN2NPC1RAB9APOLB
SCHEMBL823582 0.82 SMN1; SMN2 (0.57) KDM4ESMN1; SMN2ALDH1A1TDP1POLB

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 KDM4E 2868/4885SMN1; SMN2 1564/4885NPC1 248/4885

“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.