SCHEMBL3101445

SCHEMBL3101445

O=S(=O)(Nc1cc(O)ccc1-c1ncco1)c1cccc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
AURKA O14965 1/20 0.40
KDR P35968 1/20 0.40
AURKB Q96GD4 1/20 0.40
DYRK1A Q13627 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP3A4 P08684 2/20 0.39
KAT6A Q92794 1/20 0.39
AXL P30530 1/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.39
PTPN1 P18031 3/20 0.39
PTPN5 P54829 3/20 0.39
HSPD1 P10809 2/20 0.39
PTPN2 P17706 2/20 0.39

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
SCHEMBL4780299 0.91 CYP3A4 (0.41) HSP90AA1HSP90AB1DYRK1ALMNASMN1; SMN2
SCHEMBL4781817 0.87 SLC40A1 (0.48) HSP90AA1HSP90AB1KDRAURKBPIK3C2B
SCHEMBL4778521 0.86 SLC40A1 (0.51) LMNAKMT2AMEN1PTPN1PTPN5
SCHEMBL4781517 0.83 MEN1 (0.41) HSP90AA1HSP90AB1KDRKMT2APOLB
SCHEMBL4781338 0.78 SLC40A1 (0.48) LMNASMN1; SMN2KMT2AMEN1PTPN1
SCHEMBL4779280 0.78 SLC40A1 (0.51) LMNAAXLKMT2AMEN1PTPN1
SCHEMBL3098055 0.78 AXL (0.52) CYP3A4AXLKMT2AMEN1CYP2C9
SCHEMBL4795831 0.77 SLC40A1 (0.55) LMNAKMT2AMEN1PTPN1PTPN5
SCHEMBL4780017 0.76 KAT6A (0.39) KAT6AKMT2AMEN1PKMBRAF
SCHEMBL3091703 0.76 CCR9 (0.43) KMT2AMEN1

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
WO-2008008374-A2 CCR2 INHIBITORS AND METHODS OF USE THEREOF CHEMOCENTRYX, INC. (US) 2008-01-17 WO claimed
US-20100234364-A1 CCR2 INHIBITORS AND METHODS OF USE THEREOF CHEMOCENTRYX, INC. 2010-09-16 US disclosed
WO-2008008374-A2 CCR2 INHIBITORS AND METHODS OF USE THEREOF CHEMOCENTRYX, INC. (US) 2008-01-17 WO 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-20100234364-A1 CCR2 INHIBITORS AND METHODS OF USE THEREOF CCR2, CCR9, CCR1 HSP90AA1 2051/4885HSP90AB1 1860/4885AURKA 4520/4885

“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.