SCHEMBL19744201

SCHEMBL19744201

COC(=O)/C=C(\Oc1ccccc1C(F)(F)F)C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.42
ATM Q13315 2/20 0.39
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
PPARG P37231 1/20 0.38
LMNA P02545 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
NFE2L2 Q16236 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
POLB P06746 1/20 0.37
PKM P14618 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL19744001 1.00 MAOB (0.42) MAOBATMRXRARXRBRXRG
SCHEMBL19744209 0.82 ATM (0.43) ATMNFE2L2ALDH1A1POLBNPC1
SCHEMBL19744095 0.82 ATM (0.43) ATMNFE2L2ALDH1A1POLBNPC1
SCHEMBL18397751 0.79 LY96 (0.38) KDM4EALDH1A1PKMNPC1RAB9A
SCHEMBL18397749 0.79 LY96 (0.38) KDM4EALDH1A1PKMNPC1RAB9A
SCHEMBL11547996 0.77 MAOB (0.48) MAOBATMLMNAALDH1A1CYP1A2
SCHEMBL14458708 0.77 KDM4E (0.52) MAOBATMTDP1KDM4EALDH1A1
SCHEMBL21187006 0.77 KDM4E (0.52) MAOBATMTDP1KDM4EALDH1A1
SCHEMBL15454362 0.77 HPGD (0.54) MAOBATMRXRARXRBRXRG
SCHEMBL4247652 0.75 RAB9A (0.54) TDP1KDM4EALDH1A1CYP1A2POLB

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 MAOB 2696/4885ATM 3574/4885RXRA 586/4885
US-20210101877-A1 ANTI-INFECTIVE AGENTS C1R, RRS1, ARG1 MAOB 2696/4885ATM 3574/4885RXRA 586/4885
US-20190225592-A1 ANTI-INFECTIVE AGENTS C1R, ARG1, MSR1 MAOB 2283/4885ATM 3612/4885RXRA 533/4885

“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.