SCHEMBL4287310

SCHEMBL4287310

COC(=O)c1ccc(OCC[C@@H]2CN(C(=O)O)CCN2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.37
XIAP P98170 1/20 0.37
BIRC2 Q13490 1/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA4 P22748 2/20 0.37
CA9 Q16790 2/20 0.37
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
EGFR P00533 1/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 2/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 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
Hydrochloric Acid SCHEMBL4283605 0.89 ALDH1A1 (0.39) CA1CA2CA4CA9LMNA
SCHEMBL4289809 0.89 MAPT (0.42) XIAPBIRC2CA1CA2CA4
SCHEMBL4749687 0.86 MRGPRX4 (0.39) CA1CA2CA4CA9HTT
SCHEMBL4285659 0.86 MRGPRX4 (0.39) CA1CA2CA4CA9HTT
Hydrochloric Acid SCHEMBL4285448 0.85 CPS1 (0.40)
Hydrochloric Acid SCHEMBL4286055 0.85 MRGPRX4 (0.39) CA1CA2CA4CA9HTT
SCHEMBL4286365 0.84 PTGDR2 (0.39) RAB9AALDH1A1MEN1KMT2A
SCHEMBL4752310 0.84 PTGDR2 (0.39) RAB9AALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL4285718 0.83 KDM4E (0.41) CA1CA2CA4CA9HTT
SCHEMBL4284770 0.82 ALDH1A1 (0.41) CYP1A2CYP3A4CYP2C9CYP2C19RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 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 (2 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-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT TTR 3004/4885XIAP 1943/4885BIRC2 901/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT TTR 3004/4885XIAP 1943/4885BIRC2 901/4885

“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.