SCHEMBL2577032

SCHEMBL2577032

O=C(CCCSc1nc2cc[nH]c2c(=O)n1-c1ccc(OCC(F)(F)F)cc1)N1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 1/20 0.46
TP53 P04637 4/20 0.43
ALDH1A1 P00352 6/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
LMNA P02545 2/20 0.39
POLB P06746 5/20 0.38
MAPT P10636 2/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
P2RY12 Q9H244 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
SCHEMBL2578024 0.99 FADS1 (0.46) FADS1TP53ALDH1A1GAAKMT2A
SCHEMBL2567091 0.93 FADS1 (0.45) FADS1TP53ALDH1A1KMT2AMEN1
SCHEMBL2576300 0.93 FADS1 (0.46) FADS1TP53ALDH1A1GAAKMT2A
SCHEMBL2566034 0.93 FADS1 (0.45) FADS1TP53ALDH1A1GAAKMT2A
SCHEMBL2991224 0.92 FADS1 (0.44) FADS1TP53ALDH1A1GAAKMT2A
SCHEMBL2991221 0.92 FADS1 (0.44) FADS1TP53ALDH1A1GAAKMT2A
SCHEMBL2573160 0.92 FADS1 (0.45) FADS1TP53ALDH1A1GAAKMT2A
SCHEMBL2566902 0.89 FADS1 (0.43) FADS1TP53ALDH1A1GAAKMT2A
SCHEMBL2564109 0.88 FADS1 (0.50) FADS1TP53ALDH1A1KMT2AMEN1
SCHEMBL2565491 0.88 FADS1 (0.53) FADS1TP53ALDH1A1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2382218-A1 DELTA-5-DESATURASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2011-11-02 EP disclosed
WO-2010087467-A1 DELTA-5-DESATURASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-05 WO disclosed
WO-2010087467-A1 DELTA-5-DESATURASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-05 WO disclosed
US-20100190747-A1 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 US disclosed
US-20100190747-A1 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 US disclosed
US-20100190747-A1 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 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-20100190747-A1 Fused ring compound and use thereof CYP46A1, LTB4R2, PTGES FADS1 140/4885TP53 836/4885ALDH1A1 875/4885

“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.