SCHEMBL4130432

SCHEMBL4130432

Cc1ccc(S(=O)(=O)c2cc(CCNC(=O)O)nn2-c2ccccc2F)cn1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 10/20 0.39
PTGS2 P35354 3/20 0.35
CYP3A4 P08684 1/20 0.35
CTSA P10619 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 1/20 0.34
DHODH Q02127 1/20 0.34
EPHX2 P34913 2/20 0.34
RIPK1 Q13546 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALDH1A1 P00352 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL4125823 0.94 NAMPT (0.38) NAMPTPTGS2KDM4EHSD17B10EPHX2
SCHEMBL4135640 0.93 NAMPT (0.37) NAMPTPTGS2SMN1; SMN2KDM4EHSD17B10
SCHEMBL3704869 0.91 P2RX7 (0.37) NAMPTPTGS2EPHX2
SCHEMBL4130559 0.90 GAA (0.39) NAMPTPTGS2SMN1; SMN2EPHX2RIPK1
SCHEMBL4134998 0.90 NAMPT (0.38) NAMPTPTGS2SMN1; SMN2CYP2C9ALDH1A1
SCHEMBL4125960 0.90 NAMPT (0.38) NAMPTPTGS2CYP2C9
SCHEMBL4131063 0.90 NAMPT (0.38) NAMPTPTGS2SMN1; SMN2DHODHCYP2C9
SCHEMBL4125915 0.90 CNR1 (0.38) NAMPTPTGS2
SCHEMBL4135106 0.89 NAMPT (0.41) NAMPTCYP3A4CTSASMN1; SMN2ALDH1A1
SCHEMBL4136915 0.89 NAMPT (0.37) NAMPTPTGS2SMN1; SMN2EPHX2CYP2C9

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 2129/4885PTGS2 269/4885CYP3A4 198/4885

“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.