SCHEMBL3072339

SCHEMBL3072339

O=C(Oc1cccc(Cl)c1)C(c1cccs1)C(O)c1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
ALOX15 P16050 2/20 0.43
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
NOTUM Q6P988 1/20 0.39
KCNA5 P22460 2/20 0.39
KMT2A Q03164 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GRM5 P41594 4/20 0.35
TRPM8 Q7Z2W7 1/20 0.35

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
SCHEMBL3076914 0.89 TSHR (0.50) TSHRALOX15KDM4EUSP2ALDH1A1
SCHEMBL3075817 0.85 ALOX15 (0.48) ALOX15KDM4EUSP2ALDH1A1NPSR1
SCHEMBL3074288 0.84 TSHR (0.50) TSHRKDM4EALDH1A1NPSR1KCNA5
SCHEMBL3075124 0.83 TSHR (0.49) TSHRKDM4EALDH1A1NPSR1NPC1
SCHEMBL3068041 0.81 TSHR (0.49) TSHRKDM4EALDH1A1NPSR1SLC6A2
SCHEMBL6316514 0.79 ALOX15 (0.49) TSHRALOX15KDM4EUSP2ALDH1A1
SCHEMBL3066675 0.78 ALDH1A1 (0.49) TSHRALOX15KDM4EUSP2ALDH1A1
SCHEMBL3081201 0.74 TSHR (0.46) TSHRKMT2ANPC1RAB9A
SCHEMBL3071313 0.72 CYP19A1 (0.44) ALOX15KDM4EUSP2ALDH1A1SLC6A2
SCHEMBL3061843 0.72 FFAR1 (0.43) TSHRALDH1A1KCNA5NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100267555-A1 Fungicidal mixtures II BASF SE (DE) 2010-10-21 US claimed
EP-2222169-A2 FUNGICIDAL MIXTURES II BASF SE (DE) 2010-09-01 EP claimed
WO-2009063075-A2 FUNGICIDAL MIXTURES II BASF SE (DE) 2009-05-22 WO claimed
US-20100267555-A1 Fungicidal mixtures II BASF SE (DE) 2010-10-21 US disclosed
EP-2222169-A2 FUNGICIDAL MIXTURES II BASF SE (DE) 2010-09-01 EP disclosed
WO-2009063075-A2 FUNGICIDAL MIXTURES II BASF SE (DE) 2009-05-22 WO disclosed
US-20050277663-A1 3-Aryl-3-hydroxy-and 3-aryl-3-oxopropionic acid esters as fungicides ATP CAPITAL LP 2005-12-15 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-20050277663-A1 3-Aryl-3-hydroxy-and 3-aryl-3-oxopropionic acid esters as fungicides CYP21A2, HAO1, AHR TSHR 907/4885ALOX15 518/4885KDM4E 1577/4885
US-20100267555-A1 Fungicidal mixtures II CBR3, CBR1, NOX3 TSHR 364/4885ALOX15 291/4885KDM4E 3692/4885

“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.