SCHEMBL19744156

SCHEMBL19744156

N#Cc1ccc2oc(C(=O)O)cc(=O)c2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.61
▸ CSNK2A1 P68400 4/20 0.58
▸ KDM4E B2RXH2 3/20 0.58
▸ CSNK2A2 P19784 3/20 0.58
▸ CSNK2B P67870 3/20 0.58
▸ CSNK2A3 Q8NEV1 3/20 0.58
▸ USP2 O75604 1/20 0.58
▸ PTGS1 P23219 1/20 0.58
▸ AKR1B1 P15121 1/20 0.51
▸ GPR35 Q9HC97 2/20 0.48
▸ PIM1 P11309 3/20 0.47
▸ HTT P42858 2/20 0.44
▸ GLA P06280 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ TNKS O95271 1/20 0.43

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
SCHEMBL19744161 0.80 MAOB (0.67) ALDH1A1KDM4EAKR1B1GLAMAPT
SCHEMBL11834098 0.80 GPR35 (0.50) ALDH1A1CSNK2A1KDM4ECSNK2A2CSNK2B
SCHEMBL1819421 0.80 PIM1 (0.58) ALDH1A1CSNK2A1KDM4ECSNK2A2CSNK2B
SCHEMBL11836929 0.79 GPR35 (0.49) ALDH1A1CSNK2A1KDM4ECSNK2A2CSNK2B
SCHEMBL15832597 0.78 ALDH1A1 (0.65) ALDH1A1CSNK2A1KDM4ECSNK2A2CSNK2B
SCHEMBL18686191 0.78 ALDH1A1 (0.65) ALDH1A1CSNK2A1KDM4ECSNK2A2CSNK2B
SCHEMBL4256569 0.78 ALDH1A1 (0.69) ALDH1A1CSNK2A1KDM4ECSNK2A2CSNK2B
SCHEMBL2976354 0.78 AKR1B1 (0.76) ALDH1A1CSNK2A1KDM4ECSNK2A2CSNK2B
SCHEMBL18144902 0.78 ALDH1A1 (0.69) ALDH1A1CSNK2A1KDM4ECSNK2A2CSNK2B
SCHEMBL379054 0.76 ALDH1A1 (0.67) ALDH1A1CSNK2A1KDM4ECSNK2A2CSNK2B

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 10 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
CN-109641864-A ANTI-INFECTIVE AGENTS 邓迪大学 2019-04-16 — — CN 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 ALDH1A1 3749/4885CSNK2A1 821/4885KDM4E 2159/4885
US-20210101877-A1 ANTI-INFECTIVE AGENTS C1R, RRS1, ARG1 ALDH1A1 3749/4885CSNK2A1 821/4885KDM4E 2159/4885
US-20190225592-A1 ANTI-INFECTIVE AGENTS C1R, ARG1, MSR1 ALDH1A1 3685/4885CSNK2A1 780/4885KDM4E 2344/4885

“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.

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