SCHEMBL2853455

SCHEMBL2853455

C[C@H]1CN(Cc2ccc(NS(=O)(=O)c3ccc(-c4ccc(F)cc4)nc3)cc2)CCN1C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MLNR O43193 6/20 0.69
KCNH2 Q12809 2/20 0.46
CCR1 P32246 6/20 0.45
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
FPR3 P25089 1/20 0.42
GPR65 Q8IYL9 1/20 0.42
GPR35 Q9HC97 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
MGLL Q99685 1/20 0.40
ENPP2 Q13822 1/20 0.40

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
SCHEMBL2853580 0.90 MLNR (0.52) MLNRKCNH2CCR1KMT2AMEN1
SCHEMBL1995197 0.89 MLNR (0.63) MLNRKCNH2CCR1KMT2AMEN1
SCHEMBL2856291 0.89 MLNR (0.75) MLNRKMT2AMEN1NPC1RAB9A
SCHEMBL3659038 0.88 MLNR (0.53) MLNRKCNH2CCR1KMT2AMEN1
SCHEMBL2856258 0.88 MLNR (0.53) MLNRKCNH2CCR1KMT2AMEN1
SCHEMBL2849453 0.88 MLNR (0.73) MLNRKCNH2CCR1KMT2APTGDR2
SCHEMBL2851975 0.86 MLNR (0.74) MLNRKCNH2PTGDR2MGLL
SCHEMBL3656919 0.85 MLNR (0.50) MLNRKCNH2CCR1KMT2AMEN1
SCHEMBL2849498 0.85 MLNR (0.51) MLNRKCNH2CCR1KMT2AMEN1
SCHEMBL2853570 0.84 MLNR (0.51) MLNRCCR1FPR3GPR65GPR35

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256364-A1 PIPERAZINYL-SULFONAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF GPR38 RECEPTOR MEDIATED DISEASES GLAXO GROUP LTD. 2010-10-07 US disclosed
EP-2212299-A1 PIPERAZINYL-SULFONAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF GPR38 RECEPTOR MEDIATED DISEASES Glaxo Group Limited (GB) 2010-08-04 EP disclosed
WO-2009068552-A1 PIPERAZINYL-SULFONAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF GPR38 RECEPTOR MEDIATED DISEASES GLAXO GROUP LIMITED (GB) 2009-06-04 WO 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-20100256364-A1 PIPERAZINYL-SULFONAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF GPR38 RECEPTOR MEDIATED DISEASES GPR68, GPR88, GIPR MLNR 12/4885KCNH2 2812/4885CCR1 878/4885

“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.