SCHEMBL4137765

SCHEMBL4137765

CN(Cc1cc(S(=O)(=O)c2ccccc2)n(-c2cccnc2C#N)n1)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.33
ELANE P08246 1/20 0.32
ALDH1A1 P00352 3/20 0.32
GAA P10253 2/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
HTR6 P50406 3/20 0.32
HCRTR1 O43613 2/20 0.31
HCRTR2 O43614 2/20 0.31
P2RX7 Q99572 1/20 0.31
CXCR3 P49682 1/20 0.31
SLC16A3 O15427 1/20 0.31
SLC16A1 P53985 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
GRM1 Q13255 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30
MAPK1 P28482 1/20 0.30
RAB9A P51151 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
SCHEMBL3698416 0.89 HTR2C (0.42) PTGDR2HTR6SLC16A3SLC16A1
SCHEMBL3698418 0.87 PTGDR2 (0.32) ELANEPTGDR2P2RX7SLC16A3SLC16A1
SCHEMBL4126123 0.86 NAMPT (0.35) NAMPTALDH1A1GAAPTGDR2HTR6
SCHEMBL4135832 0.85 SLC16A3 (0.36) NAMPTALDH1A1GAAPTGDR2HTR6
SCHEMBL3696121 0.84 HTR2C (0.41) PTGDR2SLC16A3SLC16A1
SCHEMBL4131220 0.84 SMO (0.35) NAMPTALDH1A1GAAPTGDR2HTR6
SCHEMBL476365 0.83 APLNR (0.35) NAMPTPTGDR2HCRTR1HCRTR2CXCR3
SCHEMBL3696127 0.82 P2RX7 (0.32) PTGDR2P2RX7SLC16A3SLC16A1
Hydrochloric Acid SCHEMBL3694577 0.82 HTR6 (0.34) NAMPTALDH1A1HTR6P2RX7CYP3A4
SCHEMBL4137769 0.81 HTT (0.36) NAMPTELANEALDH1A1PTGDR2P2RX7

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 2129/4885ELANE 1335/4885ALDH1A1 1497/4885

“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.