SCHEMBL1369719

SCHEMBL1369719

Cc1cc(F)c(S(C)(=O)=O)cc1Br

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CCR2 P41597 2/20 0.35
BCHE P06276 1/20 0.34
CES1 P23141 1/20 0.34
PTGS2 P35354 3/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPC1 O15118 1/20 0.33
NR2F2 P24468 1/20 0.33
NOD2 Q9HC29 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL394784 0.92 L3MBTL1 (0.38) L3MBTL1POLBTSHRSMN1; SMN2CCR2
SCHEMBL15524948 0.84 POLB (0.41) L3MBTL1POLBTSHRSMN1; SMN2PTGS2
SCHEMBL21633472 0.83 CCR2 (0.37) L3MBTL1CCR2PTGS2CA1CA2
SCHEMBL24651345 0.83 L3MBTL1 (0.42) L3MBTL1TSHRCCR2PTGS2LMNA
SCHEMBL17203486 0.82 POLB (0.40) L3MBTL1POLBTSHRSMN1; SMN2BCHE
SCHEMBL13003581 0.81 L3MBTL1 (0.41) L3MBTL1CCR2PTGS2
SCHEMBL9348045 0.81 L3MBTL1 (0.53) L3MBTL1POLBTSHRSMN1; SMN2BCHE
SCHEMBL17158071 0.79 PKM (0.38) L3MBTL1CCR2PTGS2CA1CA2
SCHEMBL25257871 0.77 L3MBTL1 (0.45) L3MBTL1POLBTSHRSMN1; SMN2BCHE
SCHEMBL19000836 0.76 PTGS2 (0.44) L3MBTL1TSHRCCR2PTGS2CA1

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
WO-2018072602-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-04-26 WO disclosed
WO-2017106409-A1 DIAMINO-ALKYLAMINO-LINKED ARYLSULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME CORP. (US) 2017-06-22 WO disclosed
US-8273769-B2 Phenoxy acetic acid derivatives MERCK SERONO SA (CH) 2012-09-25 US disclosed
EP-2396295-A1 PHENOXY ACETIC ACID DERIVATIVES Merck Serono S.A. (CH) 2011-12-21 EP disclosed
US-20110288066-A1 PHENOXY ACETIC ACID DERIVATIVES MERCK SERONO S.A. (CH) 2011-11-24 US disclosed
WO-2010092043-A1 PHENOXY ACETIC ACID DERIVATIVES MERCK SERONO S.A. (CH) 2010-08-19 WO disclosed
WO-2000066552-A1 METHOD FOR PRODUCING A BENZOYLGUANIDINE DERIVATIVE MERCK PATENT GMBH (DE) 2000-11-09 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 (1 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-20110288066-A1 PHENOXY ACETIC ACID DERIVATIVES HRH2, HRH1, HRH3 L3MBTL1 4821/4885POLB 3046/4885TSHR 3579/4885

“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.