SCHEMBL2554655

SCHEMBL2554655

O=C(c1ccc(F)cc1F)C(F)(F)c1ccc(Br)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 2/20 0.42
▸ CES1 P23141 2/20 0.42
▸ DGAT1 O75907 1/20 0.39
▸ PPARD Q03181 1/20 0.36
▸ GPR35 Q9HC97 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ POLB P06746 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ GRK2 P25098 1/20 0.35
▸ CTDSP1 Q9GZU7 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ FLT1 P17948 1/20 0.34
▸ FLT4 P35916 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ NPY2R P49146 1/20 0.33

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
SCHEMBL30352878 1.00 CES2 (0.42) CES2CES1DGAT1PPARDGPR35
SCHEMBL20639833 0.89 CES2 (0.42) CES2CES1DGAT1PPARDKDM4E
SCHEMBL14405776 0.87 CES2 (0.41) CES2CES1DGAT1PPARDGPR35
SCHEMBL17119708 0.87 DGAT1 (0.37) DGAT1PPARDKDM4EALDH1A1L3MBTL1
SCHEMBL14332118 0.84 CYP3A4 (0.43) CES2CES1ALDH1A1TDP1MAPK14
SCHEMBL18664023 0.84 CES2 (0.42) CES2CES1KDM4EALDH1A1POLB
SCHEMBL17120565 0.84 CES2 (0.42) CES2CES1KDM4EALDH1A1L3MBTL1
SCHEMBL18661269 0.84 CES2 (0.42) CES2CES1KDM4EALDH1A1POLB
SCHEMBL30270028 0.83 KAT6A (0.43) CES2CES1KDM4EALDH1A1HSD17B10
SCHEMBL20640043 0.83 KAT6A (0.43) CES2CES1KDM4EALDH1A1HSD17B10

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 214 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3397629-B1 METALLOENZYME INHIBITOR COMPOUNDS NQP 1598 LTD (KY) 2023-04-19 — — EP disclosed
CN-109970629-B Process for preparing antifungal compounds 迈科维亚医药公司 2023-04-11 — — CN disclosed
US-11247981-B2 Metalloenzyme inhibitor compounds Mycovia Pharmaceuticals, Inc. (US) 2022-02-15 — — US disclosed
CN-108779094-B Metalloenzyme inhibitor compounds NQP 1598公司 2021-11-16 — — CN disclosed
CN-108347949-B Antifungal compound method NQP 1598公司 2021-08-13 — — CN disclosed
CN-108289457-B Process for preparing antifungal compounds 迈科维亚医药公司 2021-08-06 — — CN disclosed
EP-3349586-B1 ANTIFUNGAL COMPOUND PROCESS MYCOVIA PHARMACEUTICALS INC (US) 2020-12-02 — — EP disclosed
EP-3349586-B1 ANTIFUNGAL COMPOUND PROCESS MYCOVIA PHARMACEUTICALS INC (US) 2020-12-02 — — EP disclosed
US-10836740-B2 Antifungal compound process Mycovia Pharmaceuticals, Inc. (US) 2020-11-17 — — US disclosed
US-10836740-B2 Antifungal compound process Mycovia Pharmaceuticals, Inc. (US) 2020-11-17 — — US disclosed
WO-2012177603-A2 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-12-27 — — WO disclosed
WO-2012177603-A2 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-12-27 — — WO disclosed
US-8236962-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2012-08-07 — — US disclosed
US-8236962-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2012-08-07 — — US disclosed
US-8236962-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2012-08-07 — — US disclosed
US-20110306644-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2011-12-15 — — US disclosed
US-20110306644-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2011-12-15 — — US disclosed
US-20110306644-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2011-12-15 — — US disclosed
WO-2011133875-A2 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2011-10-27 — — WO disclosed
WO-2011133875-A2 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2011-10-27 — — 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-10836740-B2 Antifungal compound process ERG28, CYP51A1, DPM1 CES2 2044/4885CES1 2805/4885DGAT1 2334/4885
US-11247981-B2 Metalloenzyme inhibitor compounds MMEL1, GPX1, MPO CES2 286/4885CES1 198/4885DGAT1 1278/4885
US-20110306644-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO CES2 286/4885CES1 198/4885DGAT1 1278/4885

“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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