SCHEMBL1551469

SCHEMBL1551469

O=C1c2ccccc2SCCC1(CO)COC(=S)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
TP53 P04637 1/20 0.38
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
LMNA P02545 5/20 0.37
GAA P10253 3/20 0.37
NPSR1 Q6W5P4 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HTT P42858 2/20 0.37
MAPT P10636 4/20 0.37
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
XBP1 P17861 2/20 0.37
FAAH O00519 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
HPGD P15428 1/20 0.37
ALOX12 P18054 1/20 0.37
DGAT1 O75907 3/20 0.36
RAB9A P51151 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
SCHEMBL3774175 0.87 HPGD (0.37) MEN1KMT2ALMNAGAAKDM4E
SCHEMBL1551480 0.84 L3MBTL1 (0.44) L3MBTL1TP53MEN1KMT2ALMNA
SCHEMBL1551492 0.82 L3MBTL1 (0.43) L3MBTL1TP53MEN1KMT2ALMNA
SCHEMBL1551486 0.79 MAPT (0.36) TP53MEN1KMT2ALMNANPSR1
SCHEMBL1552563 0.78 ALDH1A1 (0.36) MEN1KMT2ALMNAGAAKDM4E
SCHEMBL2157006 0.78 LMNA (0.45) L3MBTL1TP53MEN1KMT2ALMNA
SCHEMBL1551484 0.73 CHRM3 (0.40) GAAKDM4EHTTMAPTHPGD
SCHEMBL1552744 0.71 HPGD (0.39) L3MBTL1LMNAGAANPSR1KDM4E
SCHEMBL1552074 0.71 SMN1; SMN2 (0.39) MEN1KMT2ALMNANPSR1KDM4E
SCHEMBL3770444 0.70 CHRM3 (0.40) TP53MAPTALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1891035-B1 SUBSTITUTED BENZO-CONDENSED CYCLOHEPTANONE DERIVATIVES AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2011-04-27 EP claimed
US-7858613-B2 Substituted benzo-condensed cycloheptanone derivatives and their use for producing drugs GRUENENTHAL GMBH (DE) 2010-12-28 US claimed
US-20090215858-A1 Substituted Benzo-Condensed Cycloheptanone Derivatives And Their Use For Producing Drugs GRUENENTHAL GMBH (DE) 2009-08-27 US claimed
US-7858613-B2 Substituted benzo-condensed cycloheptanone derivatives and their use for producing drugs GRUENENTHAL GMBH (DE) 2010-12-28 US disclosed
US-20090215858-A1 Substituted Benzo-Condensed Cycloheptanone Derivatives And Their Use For Producing Drugs GRUENENTHAL GMBH (DE) 2009-08-27 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 (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-20090215858-A1 Substituted Benzo-Condensed Cycloheptanone Derivatives And Their Use For Producing Drugs ABCB1, DHFR, DHPS L3MBTL1 4718/4885TP53 4130/4885MEN1 3574/4885

“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.