SCHEMBL14330655

SCHEMBL14330655

O=C(c1ccc(F)cc1F)C(F)(F)c1cnc(Cl)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
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ P2RX7 Q99572 2/20 0.35
▸ KCNQ3 O43525 3/20 0.35
▸ KCNQ2 O43526 3/20 0.35
▸ KCNE1 P15382 3/20 0.35
▸ KCNQ1 P51787 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ MDM2 Q00987 1/20 0.34
▸ GPBAR1 Q8TDU6 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34

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
SCHEMBL14332118 0.84 CYP3A4 (0.43) CES2CES1NPC1RAB9AALDH1A1
SCHEMBL14330649 0.79 CYP11B2 (0.38) CES2CES1NPC1RAB9AP2RX7
SCHEMBL17120565 0.78 CES2 (0.42) CES2CES1NPC1RAB9AKDM4E
SCHEMBL18664023 0.78 CES2 (0.42) CES2CES1NPC1RAB9AKDM4E
SCHEMBL30352878 0.78 CES2 (0.42) CES2CES1KDM4EALDH1A1TDP1
SCHEMBL2554655 0.78 CES2 (0.42) CES2CES1KDM4EALDH1A1TDP1
SCHEMBL18661269 0.78 CES2 (0.42) CES2CES1NPC1RAB9AKDM4E
SCHEMBL14332048 0.78 CES2 (0.42) CES2CES1NPC1RAB9AP2RX7
SCHEMBL14405706 0.75 CES2 (0.40) CES2CES1P2RX7KDM4ETDP1
SCHEMBL11913027 0.75 CES2 (0.40) CES2CES1NPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10919874-B2 Metalloenzyme inhibitor compounds NQP 1598, LTD. (KY) 2021-02-16 — — US disclosed
US-20190382370-A1 METALLOENZYME INHIBITOR COMPOUNDS NQP 1598 LTD (KY) 2019-12-19 — — US disclosed
US-10370354-B2 Metalloenzyme inhibitor compounds NQP 1598, LTD. (KY) 2019-08-06 — — US disclosed
US-20180222884-A1 METALLOENZYME INHIBITOR COMPOUNDS NQP 1598, LTD. (KY) 2018-08-09 — — US disclosed
US-20180222884-A1 METALLOENZYME INHIBITOR COMPOUNDS NQP 1598, LTD. (KY) 2018-08-09 — — US disclosed
EP-3351541-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals (NC), Inc. (US) 2018-07-25 — — EP disclosed
US-9938255-B2 Metalloenzyme inhibitor compounds VPS-3, INC. (US) 2018-04-10 — — US disclosed
US-9938255-B2 Metalloenzyme inhibitor compounds VPS-3, INC. (US) 2018-04-10 — — US disclosed
EP-2788343-B1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS (NC) INC (US) 2018-02-28 — — EP disclosed
EP-2723731-B1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS INC (US) 2017-10-25 — — EP disclosed
US-20140349973-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC (US) 2014-11-27 — — US disclosed
US-20140349973-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC (US) 2014-11-27 — — US disclosed
US-8883797-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2014-11-11 — — US disclosed
US-8883797-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2014-11-11 — — US disclosed
US-20130012503-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2013-01-10 — — US disclosed
US-20130012503-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2013-01-10 — — US disclosed
WO-2012177728-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-12-27 — — WO disclosed
WO-2012177725-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-12-27 — — WO disclosed
US-20120329802-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-12-27 — — US disclosed
US-20120329802-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-12-27 — — US 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 (7 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-20190382370-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GAA, GPX1 CES2 240/4885CES1 152/4885NPC1 458/4885
US-20130012503-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO CES2 286/4885CES1 198/4885NPC1 565/4885
US-10919874-B2 Metalloenzyme inhibitor compounds MMEL1, GAA, GPX1 CES2 240/4885CES1 152/4885NPC1 458/4885
US-20120329802-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO CES2 286/4885CES1 198/4885NPC1 565/4885
US-10370354-B2 Metalloenzyme inhibitor compounds MMEL1, GPX1, MPO CES2 286/4885CES1 198/4885NPC1 565/4885
US-20180222884-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO CES2 286/4885CES1 198/4885NPC1 565/4885
US-20140349973-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO CES2 286/4885CES1 198/4885NPC1 565/4885

“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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