SCHEMBL19743740

SCHEMBL19743740

COc1cc(F)c2oc(C(=O)O)cc(=O)c2c1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 19/20 0.63
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
GPR55 Q9Y2T6 3/20 0.50

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
SCHEMBL19744237 0.87 KDM4E (0.56) GPR35KDM4EALDH1A1GPR55
SCHEMBL6991257 0.84 GPR35 (0.60) GPR35KDM4EALDH1A1GPR55
SCHEMBL5563276 0.80 GPR35 (0.52) GPR35KDM4EALDH1A1
SCHEMBL21175005 0.79 GPR35 (0.50) GPR35KDM4EALDH1A1
SCHEMBL19744049 0.77 GPR35 (0.59) GPR35KDM4EALDH1A1GPR55
SCHEMBL19744144 0.76 ALDH1A1 (0.53) GPR35KDM4EALDH1A1GPR55
SCHEMBL4985501 0.76 GPR35 (0.52) GPR35KDM4EALDH1A1GPR55
Hydrochloric Acid SCHEMBL4982799 0.75 GPR35 (0.51) GPR35KDM4EALDH1A1GPR55
SCHEMBL6333455 0.74 GPR35 (0.51) GPR35KDM4EALDH1A1
SCHEMBL4996718 0.74 GPR35 (0.50) GPR35KDM4EALDH1A1GPR55

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109641864-B Anti-infective agents 邓迪大学 2023-04-04 CN disclosed
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
EP-3472141-A1 ANTI-INFECTIVE AGENTS University Of Dundee (GB) 2019-04-24 EP disclosed
WO-2017221002-A1 ANTI-INFECTIVE AGENTS UNIVERSITY OF DUNDEE (GB) 2017-12-28 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 (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 GPR35 3114/4885KDM4E 2159/4885ALDH1A1 3749/4885
US-20210101877-A1 ANTI-INFECTIVE AGENTS C1R, RRS1, ARG1 GPR35 3114/4885KDM4E 2159/4885ALDH1A1 3749/4885
US-20190225592-A1 ANTI-INFECTIVE AGENTS C1R, ARG1, MSR1 GPR35 3007/4885KDM4E 2344/4885ALDH1A1 3685/4885

“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.