SCHEMBL3774175

SCHEMBL3774175

O=C1c2ccccc2SCCC1(CO)COC(=S)Nc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.37
ALDH1A1 P00352 2/20 0.36
BUB1 O43683 2/20 0.33
KDM4E B2RXH2 3/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL1551469 0.87 L3MBTL1 (0.43) HPGDALDH1A1KDM4ELMNAGAA
SCHEMBL1552563 0.84 ALDH1A1 (0.36) HPGDALDH1A1KDM4ELMNAPOLB
SCHEMBL1551486 0.83 MAPT (0.36) HPGDALDH1A1LMNAPOLBHTT
SCHEMBL1552074 0.82 SMN1; SMN2 (0.39) HPGDALDH1A1KDM4ELMNAHTT
SCHEMBL1552794 0.79 HPGD (0.37) HPGDALDH1A1BUB1KDM4ELMNA
SCHEMBL1552744 0.79 HPGD (0.39) HPGDALDH1A1KDM4ELMNAPOLB
SCHEMBL1551484 0.77 CHRM3 (0.40) HPGDKDM4EGAAHTTHSD17B10
SCHEMBL1552499 0.75 EPHX1 (0.42) ALDH1A1LMNAMEN1KMT2A
SCHEMBL3786257 0.74 ACHE (0.36) HPGDALDH1A1KDM4ELMNAPOLB
SCHEMBL1552500 0.73 ASAH1 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858613-B2 Substituted benzo-condensed cycloheptanone derivatives and their use for producing drugs GRUENENTHAL GMBH (DE) 2010-12-28 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 HPGD 59/4885ALDH1A1 613/4885BUB1 1115/4885

“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.