SCHEMBL30009937

SCHEMBL30009937

c1ccc(-c2ccc3c(c2)OCO3)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.66
NPC1 O15118 5/20 0.60
RAB9A P51151 5/20 0.60
SMN1; SMN2 Q16637 5/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
ADORA2A P29274 3/20 0.60
ADORA1 P30542 3/20 0.60
PKM P14618 2/20 0.60
ADORA3 P0DMS8 1/20 0.60
PTPRC P08575 1/20 0.59
MAPT P10636 4/20 0.58
KDM4E B2RXH2 3/20 0.58
POLB P06746 2/20 0.58
CA12 O43570 1/20 0.58
CA2 P00918 1/20 0.58
CA9 Q16790 1/20 0.58
ALDH1A1 P00352 3/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
ABCG2 Q9UNQ0 1/20 0.54

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
SCHEMBL404584 1.00 PTGS2 (0.66) PTGS2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL2692579 0.93 CA12 (0.59) PTGS2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL29629010 0.89 PTGS2 (0.58) PTGS2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL17876319 0.85 PTPRC (0.53) PTGS2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL22162812 0.84 CA12 (0.58) PTGS2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL25440225 0.83 RAB9A (0.65) PTGS2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL30662425 0.83 PTGS2 (0.57) PTGS2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL9903729 0.82 LMNA (0.59) PTGS2SMN1; SMN2MAPTKDM4ELMNA
Biphenyl SCHEMBL27625903 0.82 ADORA1 (0.55) PTGS2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL17876110 0.82 PTPRC (0.50) PTGS2NPC1RAB9ASMN1; SMN2MEN1

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
CN-110072844-B Compounds for the treatment of infection by Mannheimia haemolytica or histophilus somni 英特维特国际股份有限公司 2023-06-02 CN disclosed
US-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES GERO PTE. LTD. (SG) 2023-02-16 US disclosed
CN-110300578-B Compounds for the treatment of respiratory diseases in cattle or pigs 英特维特国际股份有限公司 2022-12-13 CN 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-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES PFKFB3, PFKFB4, PFKFB1 PTGS2 861/4885NPC1 4357/4885RAB9A 4602/4885

“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.