SCHEMBL4117657

SCHEMBL4117657

CN(Cc1cc(-c2cccnc2F)c(S(=O)(=O)c2ccncc2)s1)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 8/20 0.33
LIPG Q9Y5X9 3/20 0.33
LIPC P11150 1/20 0.33
IDH2 P48735 1/20 0.33
NAMPT P43490 1/20 0.32
PIP4K2A P48426 1/20 0.32
PIP4K2C Q8TBX8 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
AR P10275 1/20 0.31
COMT P21964 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
SCHEMBL4125901 0.94 NAMPT (0.35) LIPGLIPCIDH2NAMPTPIP4K2A
SCHEMBL3782033 0.90 NAMPT (0.37) GPBAR1NAMPT
SCHEMBL4117741 0.89 LIPG (0.31) LIPGLIPCIDH2PIP4K2APIP4K2C
SCHEMBL3773531 0.89 IDH2 (0.34) LIPGLIPCIDH2NAMPTPIP4K2A
SCHEMBL3649326 0.88 HTR6 (0.39)
SCHEMBL4136581 0.87 CTSD (0.33) GPBAR1LIPGLIPCIDH2PIP4K2A
SCHEMBL3654948 0.87 F2 (0.35) GPBAR1
SCHEMBL4120130 0.87 C1S (0.32) LIPGLIPCIDH2
SCHEMBL3654891 0.87 ATM (0.34) LIPGLIPCIDH2NAMPT
SCHEMBL4127364 0.86 MAOA (0.36) LIPGLIPCIDH2

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
EP-2190822-B1 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2014-12-31 EP disclosed
US-20090156642-A1 5-Membered heterocyclic compound 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 (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-20090156642-A1 5-Membered heterocyclic compound CEL, PGA5, COG5 GPBAR1 52/4885LIPG 2467/4885LIPC 83/4885

“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.