SCHEMBL1707983

SCHEMBL1707983

COC(=O)c1cccc(-n2c([C@H]3CCCO3)nc3cc(C(F)(F)F)ccc32)c1C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.41
USP2 O75604 3/20 0.40
PKM P14618 2/20 0.40
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
DHFR P00374 1/20 0.37
P2RX3 P56373 1/20 0.36
EGFR P00533 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.34
IDH1 O75874 4/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL1708130 0.89 CYP2D6 (0.42) CFTRALDH1A1POLBRAB9ADHFR
SCHEMBL1708092 0.89 ALDH1A1 (0.39) CFTRPKMALDH1A1POLBRAB9A
SCHEMBL1708248 0.87 ALDH1A1 (0.39) CFTRUSP2ALDH1A1POLBRAB9A
SCHEMBL1707938 0.83 DHFR (0.39) USP2PKMALDH1A1DHFRMEN1
SCHEMBL1708229 0.83 DHFR (0.39) USP2PKMALDH1A1DHFREGFR
SCHEMBL1708107 0.81 TSHR (0.46) CFTRUSP2PKMALDH1A1POLB
SCHEMBL10291346 0.76 LMNA (0.39) USP2PKMSMN1; SMN2
SCHEMBL1708368 0.75 LMNA (0.33) USP2PKMMEN1KMT2ASMN1; SMN2
SCHEMBL1708131 0.74 FFAR1 (0.38) USP2PKMSMN1; SMN2
SCHEMBL10292325 0.74 FFAR1 (0.38) USP2PKMSMN1; SMN2

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-20120172351-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-05 US disclosed
EP-2440541-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-04-18 EP disclosed
WO-2010143733-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-16 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-20120172351-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF GPR119, INSR, GLP1R CFTR 107/4885USP2 4493/4885PKM 4189/4885

“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.