SCHEMBL4139027

SCHEMBL4139027

N#Cc1cccc(S(=O)(=O)c2cc(CCNC(=O)O)nn2-c2ccccc2Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.39
RORC P51449 3/20 0.38
NAMPT P43490 4/20 0.36
PDE4B Q07343 1/20 0.34
SLC16A3 O15427 1/20 0.34
SLC16A1 P53985 1/20 0.34
MCTS1 Q9ULC4 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
SCHEMBL4125459 0.86 ATM (0.36) CNR1NAMPT
SCHEMBL476366 0.85 NAMPT (0.38) RORCNAMPT
SCHEMBL4137822 0.84 HTR2A (0.39) RORCNAMPT
SCHEMBL4125774 0.83 SMN1; SMN2 (0.36) CNR1NAMPTPDE4BSLC16A3SLC16A1
SCHEMBL4126103 0.83 ALDH1A1 (0.42) CNR1NAMPT
Hydrochloric Acid SCHEMBL3693726 0.82 RXRA (0.37) CNR1RORCNAMPT
SCHEMBL3707637 0.82 SLC16A3 (0.37) CNR1SLC16A3SLC16A1MCTS1
SCHEMBL4135079 0.82 SLC16A3 (0.37) CNR1PDE4BSLC16A3SLC16A1
SCHEMBL4126274 0.81 GAA (0.40) CNR1NAMPTSLC16A3SLC16A1
SCHEMBL4126825 0.80 P2RX7 (0.36) CNR1NAMPTSLC16A3SLC16A1

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 CNR1 938/4885RORC 1168/4885NAMPT 2129/4885

“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.