SCHEMBL1763553

SCHEMBL1763553

Cc1cc(C2CCN(C(=O)OC(C)(C)C)CC2)c(S(C)(=O)=O)cc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.54
KDM4E B2RXH2 2/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
GPR119 Q8TDV5 9/20 0.46
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
USP2 O75604 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
SCN9A Q15858 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
CRHBP P24387 1/20 0.44
HTT P42858 1/20 0.44
CRHR2 Q13324 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL1763058 0.89 SLC9A1 (0.53) SLC9A1KDM4EMAPTTHRBGPR119
SCHEMBL1763904 0.84 SLC9A1 (0.54) SLC9A1KDM4EMAPTTHRBGPR119
SCHEMBL24717446 0.84 SMN1; SMN2 (0.52) KDM4EMAPTTHRBGPR119KMT2A
SCHEMBL1764247 0.82 SLC9A1 (0.54) SLC9A1KDM4EMAPTTHRBGPR119
SCHEMBL4455329 0.77 KMT2A (0.52) KDM4EMAPTTHRBGPR119KMT2A
SCHEMBL3229083 0.77 SLC9A1 (0.56) SLC9A1KDM4ETHRBALDH1A1
SCHEMBL1763095 0.77 SLC9A1 (0.52) SLC9A1KDM4EMAPTTHRBGPR119
SCHEMBL30837328 0.77 NAMPT (0.51) KDM4EMAPTTHRBGPR119KMT2A
SCHEMBL27106986 0.77 NAMPT (0.51) KDM4EMAPTTHRBGPR119KMT2A
SCHEMBL31167715 0.75 KMT2A (0.51) KDM4EMAPTTHRBGPR119KMT2A

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-20110118262-A1 Pyrrolidinyl and Piperidinyl Compounds Useful as NHE-1 Inhibitiors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-19 US disclosed
EP-2321274-A1 PYRROLIDINYL AND PIPERIDINYL COMPOUNDS USEFUL AS NHE-1 INHIBITORS Boehringer Ingelheim International GmbH (DE) 2011-05-18 EP disclosed
WO-2010005783-A1 PYRROLIDINYL AND PIPERIDINYL COMPOUNDS USEFUL AS NHE-1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-14 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-20110118262-A1 Pyrrolidinyl and Piperidinyl Compounds Useful as NHE-1 Inhibitiors NHERF1, SLC9A1, SLC9A5 SLC9A1 2/4885KDM4E 2829/4885MAPT 4665/4885

“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.