SCHEMBL14330634

SCHEMBL14330634

CCOC(=O)C(F)(F)c1ccc2cc(Cl)ccc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.41
▸ ABCB11 O95342 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ PMP22 Q01453 1/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ ALOX15 P16050 1/20 0.40
▸ PTPN1 P18031 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ FBP1 P09467 1/20 0.40
▸ ACSS2 Q9NR19 1/20 0.40
▸ ADORA2A P29274 1/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ SIRT2 Q8IXJ6 1/20 0.37
▸ SIRT1 Q96EB6 1/20 0.37
▸ SIRT3 Q9NTG7 1/20 0.37
▸ RXFP1 Q9HBX9 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
SCHEMBL14352068 0.81 KMT2A (0.49) TSHRACSS2KMT2AMAPTL3MBTL1
SCHEMBL14330650 0.81 CYP1A2 (0.46) TSHRABCB11CYP1A2CYP3A4HTR2A
SCHEMBL16595353 0.79 TSHR (0.48) TSHRABCB11CYP1A2CYP3A4HTR2A
SCHEMBL14332032 0.77 HTT (0.46) TSHRABCB11CYP1A2CYP3A4HTR2A
SCHEMBL14332035 0.76 NOS1 (0.42) TSHRABCB11CYP1A2CYP3A4HTR2A
SCHEMBL29849887 0.76 NOS1 (0.42) TSHRABCB11CYP1A2CYP3A4HTR2A
SCHEMBL10917051 0.73 PPARA (0.62) TSHRABCB11CYP1A2CYP3A4HTR2A
SCHEMBL16595605 0.73 ABCB11 (0.42) TSHRABCB11CYP1A2CYP3A4HTR2A
SCHEMBL21501197 0.73 LMNA (0.52) TSHRABCB11CYP1A2CYP3A4HTR2A
SCHEMBL16595646 0.72 PPARA (0.44) TSHRPPARAPTPN1LMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2723731-B1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS INC (US) 2017-10-25 — — EP disclosed
US-8940735-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2015-01-27 — — US disclosed
US-8940735-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2015-01-27 — — 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 (2 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-20130012503-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO TSHR 1086/4885ABCB11 1369/4885CYP1A2 462/4885
US-20120329802-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO TSHR 1086/4885ABCB11 1369/4885CYP1A2 462/4885

“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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