SCHEMBL4125901

SCHEMBL4125901

CN(Cc1cc(-c2cccnc2F)c(S(=O)(=O)c2ccccc2)s1)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.35
IDH2 P48735 1/20 0.35
LIPG Q9Y5X9 3/20 0.34
FEN1 P39748 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
SLC40A1 Q9NP59 1/20 0.33
LIPC P11150 1/20 0.33
GAA P10253 1/20 0.33
DHODH Q02127 1/20 0.33
PIP4K2A P48426 1/20 0.32
PIP4K2C Q8TBX8 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GFER P55789 1/20 0.32
LIMK2 P53671 1/20 0.32
TACR1 P25103 1/20 0.32

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
SCHEMBL4117657 0.94 GPBAR1 (0.33) NAMPTIDH2LIPGLIPCPIP4K2A
SCHEMBL3649326 0.92 HTR6 (0.39) ALDH1A1LIMK2
SCHEMBL3782033 0.92 NAMPT (0.37) NAMPTFEN1SLC40A1ALDH1A1
SCHEMBL3654891 0.90 ATM (0.34) NAMPTIDH2LIPGLIPCALDH1A1
SCHEMBL3773531 0.90 IDH2 (0.34) NAMPTIDH2LIPGLIPCPIP4K2A
SCHEMBL4127364 0.90 MAOA (0.36) IDH2LIPGHDAC3HDAC4HDAC6
SCHEMBL4125865 0.90 LIMK2 (0.33) NAMPTIDH2LIPGHDAC3HDAC4
SCHEMBL4136581 0.89 CTSD (0.33) IDH2LIPGHDAC3HDAC4HDAC6
SCHEMBL4120130 0.89 C1S (0.32) IDH2LIPGLIPC
SCHEMBL4120645 0.89 NFE2L2 (0.41) NAMPTSLC40A1LIMK2

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 NAMPT 2129/4885IDH2 3273/4885LIPG 2467/4885

“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.