SCHEMBL3076914

SCHEMBL3076914

O=C(Oc1ccc(Cl)cc1)C(c1cccs1)C(O)c1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
KMT2A Q03164 3/20 0.39
ALOX15 P16050 2/20 0.39
CYP19A1 P11511 1/20 0.39
CYP3A4 P08684 6/20 0.36
CYP3A5 P20815 2/20 0.36
FFAR2 O15552 1/20 0.35
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 2/20 0.35
USP2 O75604 2/20 0.35
LMNA P02545 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.33
GLA P06280 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TP53 P04637 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
SCHEMBL3072339 0.89 TSHR (0.47) TSHRKMT2AALOX15ALDH1A1USP2
SCHEMBL3075124 0.88 TSHR (0.49) TSHRALDH1A1LMNARAB9AKDM4E
SCHEMBL3074288 0.85 TSHR (0.50) TSHRKMT2ACYP19A1ALDH1A1LMNA
SCHEMBL3071313 0.84 CYP19A1 (0.44) KMT2AALOX15CYP19A1CYP3A4CYP3A5
SCHEMBL3068041 0.84 TSHR (0.49) TSHRALDH1A1LMNARAB9AKDM4E
SCHEMBL6310855 0.78 CYP19A1 (0.46) KMT2AALOX15CYP19A1CYP3A4CYP3A5
SCHEMBL3068551 0.77 KMT2A (0.43) TSHRKMT2AALOX15ALDH1A1MEN1
SCHEMBL3081201 0.76 TSHR (0.46) TSHRKMT2ALMNARAB9ATP53
SCHEMBL3068944 0.73 RAB9A (0.45) TSHRKMT2AALDH1A1LMNARAB9A
SCHEMBL3067391 0.72 KMT2A (0.51) TSHRKMT2AALDH1A1RAB9AKDM4E

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 8 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
WO-2005123727-A1 3-ARYL-3-HYDROXY- AND 3-ARYL-3-OXOPROPIONIC ACID ESTERS AS FUNGICIDES CROPSOLUTION, INC. (US) 2005-12-29 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 907/4885KMT2A 1213/4885ALOX15 518/4885
US-20100267555-A1 Fungicidal mixtures II CBR3, CBR1, NOX3 TSHR 364/4885KMT2A 4299/4885ALOX15 291/4885

“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.