SCHEMBL14332035

SCHEMBL14332035

CCOC(=O)C(F)(F)c1cc(Cl)ccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 1/20 0.42
▸ NOS2 P35228 1/20 0.42
▸ L3MBTL1 Q9Y468 4/20 0.41
▸ CYP3A4 P08684 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ ABCB11 O95342 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ PMP22 Q01453 1/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ GAA P10253 2/20 0.40
▸ IDE P14735 1/20 0.39
▸ CYP2C9 P11712 2/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ KMT2A Q03164 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
SCHEMBL29849887 1.00 NOS1 (0.42) NOS1NOS2L3MBTL1CYP3A4ALDH1A1
SCHEMBL28402473 0.83 ALDH1A1 (0.40) L3MBTL1CYP3A4ALDH1A1CYP1A2TSHR
SCHEMBL14330650 0.80 CYP1A2 (0.46) L3MBTL1CYP3A4ALDH1A1CYP1A2MAPT
SCHEMBL14332032 0.78 HTT (0.46) L3MBTL1CYP3A4ALDH1A1CYP1A2MAPT
SCHEMBL1171499 0.78 POLB (0.47) L3MBTL1CYP1A2MAPTTSHRGAA
SCHEMBL24355439 0.77 GAA (0.49) NOS1NOS2L3MBTL1CYP3A4ALDH1A1
SCHEMBL20271838 0.76 L3MBTL1 (0.41) L3MBTL1CYP3A4ALDH1A1CYP1A2MAPT
SCHEMBL14330634 0.76 TSHR (0.41) L3MBTL1CYP3A4CYP1A2MAPTABCB11
SCHEMBL12302777 0.75 SYK (0.55) L3MBTL1MAPTLMNA
SCHEMBL17420686 0.74 KDM4E (0.46) L3MBTL1CYP3A4ALDH1A1CYP1A2TSHR

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022173849-A1 (HETERO)ARYLAMINO-CYCLOHEXYL-SULFONYL DERIVATIVES AS CCR6 INHIBITORS QILU REGOR THERAPEUTICS INC. (CN) 2022-08-18 — — WO disclosed
EP-2721021-B1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS NC INC (US) 2019-01-23 — — EP disclosed
EP-2721020-B1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS NC INC (US) 2019-01-23 — — EP disclosed
US-9556143-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2017-01-31 — — US disclosed
US-9221791-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2015-12-29 — — US disclosed
US-20150099750-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals (NC), Inc. 2015-04-09 — — US disclosed
US-8901121-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2014-12-02 — — US disclosed
US-20140350003-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals (NC), Inc. 2014-11-27 — — US disclosed
US-8809378-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2014-08-19 — — US disclosed
EP-2721021-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals, Inc. (US) 2014-04-23 — — EP disclosed
EP-2721020-A2 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals, Inc. (US) 2014-04-23 — — EP disclosed
US-20130005719-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2013-01-03 — — US disclosed
US-20130005729-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2013-01-03 — — US disclosed
WO-2012177603-A2 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-12-27 — — WO disclosed
WO-2012177608-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-12-27 — — 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 (4 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-20130005729-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO NOS1 1329/4885NOS2 1150/4885L3MBTL1 1568/4885
US-20150099750-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO NOS1 1329/4885NOS2 1150/4885L3MBTL1 1568/4885
US-20140350003-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO NOS1 1329/4885NOS2 1150/4885L3MBTL1 1568/4885
US-20130005719-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO NOS1 1329/4885NOS2 1150/4885L3MBTL1 1568/4885

“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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