SCHEMBL19743716

SCHEMBL19743716

CCOC(=O)c1cc(=O)c2cc(F)cc(N)c2o1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 3/20 0.58
AKR1B1 P15121 1/20 0.53
MAOB P27338 2/20 0.52
SLC2A1 P11166 1/20 0.46
KMT2A Q03164 3/20 0.44
RAB9A P51151 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPK1 P28482 2/20 0.42
THRB P10828 2/20 0.41
TP53 P04637 1/20 0.41
MEN1 O00255 2/20 0.39
GAA P10253 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL29540395 0.87 GPR35 (0.60) GPR35AKR1B1MAOBSLC2A1KMT2A
SCHEMBL19744146 0.87 GPR35 (0.60) GPR35AKR1B1MAOBSLC2A1KMT2A
SCHEMBL4983007 0.85 GPR35 (0.58) GPR35AKR1B1MAOBSLC2A1KMT2A
SCHEMBL11190430 0.84 GPR35 (0.54) GPR35AKR1B1MAOBSLC2A1KMT2A
SCHEMBL19744064 0.81 GPR35 (0.55) GPR35AKR1B1MAOBSLC2A1KMT2A
SCHEMBL4254725 0.81 AKR1B1 (0.57) GPR35AKR1B1MAOBSLC2A1KMT2A
SCHEMBL19744234 0.79 GPR35 (0.68) GPR35AKR1B1KDM4E
SCHEMBL8251037 0.79 MAOB (0.72) GPR35AKR1B1MAOBSLC2A1KMT2A
SCHEMBL28368609 0.79 AKR1B1 (0.51) GPR35AKR1B1MAOBSLC2A1KMT2A
SCHEMBL19744202 0.79 AKR1B1 (0.58) GPR35AKR1B1MAOBSLC2A1KMT2A

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 3114/4885AKR1B1 2303/4885MAOB 2696/4885
US-20210101877-A1 ANTI-INFECTIVE AGENTS C1R, RRS1, ARG1 GPR35 3114/4885AKR1B1 2303/4885MAOB 2696/4885
US-20190225592-A1 ANTI-INFECTIVE AGENTS C1R, ARG1, MSR1 GPR35 3007/4885AKR1B1 2338/4885MAOB 2283/4885

“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.