SCHEMBL2567091

SCHEMBL2567091

O=C(CCCSc1nc2cc[nH]c2c(=O)n1-c1ccc(OCC(F)(F)F)cc1)N1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 1/20 0.45
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
POLB P06746 3/20 0.40
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 3/20 0.40
TP53 P04637 4/20 0.40
LMNA P02545 2/20 0.40
RAB9A P51151 1/20 0.39
USP2 O75604 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PDE2A O00408 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
P2RY12 Q9H244 1/20 0.38
TSHR P16473 2/20 0.38
MAPT P10636 2/20 0.38

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
SCHEMBL2577032 0.93 FADS1 (0.46) FADS1POLBALDH1A1KMT2ATP53
SCHEMBL2578024 0.92 FADS1 (0.46) FADS1POLBALDH1A1KMT2ATP53
SCHEMBL2566034 0.91 FADS1 (0.45) FADS1ALDH1A1KMT2ATP53LMNA
SCHEMBL2576300 0.91 FADS1 (0.46) FADS1ALDH1A1KMT2ATP53LMNA
SCHEMBL2991224 0.90 FADS1 (0.44) FADS1ALDH1A1KMT2ATP53LMNA
SCHEMBL2991221 0.90 FADS1 (0.44) FADS1ALDH1A1KMT2ATP53LMNA
SCHEMBL2573160 0.89 FADS1 (0.45) FADS1HSP90AA1HSP90AB1ALDH1A1KMT2A
SCHEMBL2991169 0.87 FADS1 (0.43) FADS1ALDH1A1KMT2ATP53LMNA
SCHEMBL2566902 0.87 FADS1 (0.43) FADS1ALDH1A1KMT2ATP53LMNA
SCHEMBL2564109 0.86 FADS1 (0.50) FADS1POLBALDH1A1KMT2ATP53

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 140/4885HSP90AA1 1118/4885HSP90AB1 1294/4885

“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.