SCHEMBL21174997

SCHEMBL21174997

COc1ccc(O/C(=C\C(=O)O)C(=O)O)cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.49
MAPK1 P28482 3/20 0.49
RAB9A P51151 2/20 0.49
HTT P42858 1/20 0.49
TUBB1 Q9H4B7 5/20 0.40
HPGD P15428 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ERN1 O75460 1/20 0.37
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 2/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
GAA P10253 1/20 0.37
ALOX12 P18054 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALOX15 P16050 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CPS1 P31327 1/20 0.37
TAS2R14 Q9NYV8 1/20 0.37

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
SCHEMBL30225123 1.00 LMNA (0.49) LMNAMAPK1RAB9AHTTTUBB1
SCHEMBL30225018 1.00 LMNA (0.49) LMNAMAPK1RAB9AHTTTUBB1
SCHEMBL19744114 1.00 LMNA (0.49) LMNAMAPK1RAB9AHTTTUBB1
SCHEMBL19743750 0.89 LMNA (0.42) LMNAMAPK1RAB9AHTTHPGD
SCHEMBL19744219 0.89 LMNA (0.42) LMNAMAPK1RAB9AHTTHPGD
SCHEMBL21187112 0.79 LMNA (0.44) LMNAMAPK1RAB9AHTTTUBB1
SCHEMBL29986171 0.79 LMNA (0.44) LMNAMAPK1RAB9AHTTTUBB1
SCHEMBL19744050 0.79 LMNA (0.44) LMNAMAPK1RAB9AHTTTUBB1
SCHEMBL19744207 0.78 FFAR1 (0.41) LMNAMAPK1RAB9AHTTHPGD
SCHEMBL19744008 0.78 FFAR1 (0.41) LMNAMAPK1RAB9AHTTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11485720-B2 Anti-infective agents UNIVERSITY OF DUNDEE (GB) 2022-11-01 US disclosed
EP-3472141-B1 ANTI-INFECTIVE AGENTS UNIV DUNDEE (GB) 2022-10-05 EP disclosed
US-20210101877-A1 ANTI-INFECTIVE AGENTS UNIVERSITY OF DUNDEE (GB) 2021-04-08 US disclosed
US-20210101877-A1 ANTI-INFECTIVE AGENTS UNIVERSITY OF DUNDEE (GB) 2021-04-08 US disclosed
US-20190225592-A1 ANTI-INFECTIVE AGENTS UNIVERSITY OF DUNDEE (GB) 2019-07-25 US disclosed
US-20190225592-A1 ANTI-INFECTIVE AGENTS UNIVERSITY OF DUNDEE (GB) 2019-07-25 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 (3 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-11485720-B2 Anti-infective agents C1R, RRS1, ARG1 LMNA 2536/4885MAPK1 1143/4885RAB9A 553/4885
US-20210101877-A1 ANTI-INFECTIVE AGENTS C1R, RRS1, ARG1 LMNA 2536/4885MAPK1 1143/4885RAB9A 553/4885
US-20190225592-A1 ANTI-INFECTIVE AGENTS C1R, ARG1, MSR1 LMNA 2610/4885MAPK1 1282/4885RAB9A 521/4885

“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.