SCHEMBL1763592

SCHEMBL1763592

CS(=O)(=O)c1ccccc1C(=O)N1CC=C(c2ccc(C(=O)NC(=N)N)cc2C(F)(F)F)CC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.49
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
CACNA1B Q00975 2/20 0.37
LMNA P02545 1/20 0.35
NAAA Q02083 1/20 0.34
MAPT P10636 1/20 0.34
NAMPT P43490 3/20 0.34
EED O75530 1/20 0.34
CNR2 P34972 1/20 0.34
CYP3A4 P08684 1/20 0.34
SCN9A Q15858 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
SCHEMBL1764089 0.87 SLC9A1 (0.46) SLC9A1MMP2MMP3LMNANAMPT
SCHEMBL1764093 0.85 CYP2C9 (0.48) SLC9A1MMP2MMP3MAPTNAMPT
SCHEMBL1763656 0.79 SLC9A1 (0.73) SLC9A1CACNA1BCYP3A4
SCHEMBL1763452 0.77 JAK1 (0.36) SLC9A1MAPTCYP3A4
SCHEMBL12593566 0.76 NAMPT (0.38) SLC9A1MMP2MMP3LMNANAMPT
SCHEMBL1763741 0.75 SLC9A1 (0.49) SLC9A1MAPTNAMPT
SCHEMBL12593569 0.75 NAMPT (0.40) SLC9A1MAPTNAMPTCYP3A4
SCHEMBL1763602 0.74 P2RX7 (0.39) SLC9A1MMP2MMP3LMNACYP3A4
SCHEMBL7998145 0.73 SLC9A1 (0.64) SLC9A1CYP3A4
Hydrochloric Acid SCHEMBL7608239 0.72 DDR1 (0.38) SLC9A1CNR2SCN9A

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 4 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
US-20110118262-A1 Pyrrolidinyl and Piperidinyl Compounds Useful as NHE-1 Inhibitiors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-19 US disclosed
US-20110118262-A1 Pyrrolidinyl and Piperidinyl Compounds Useful as NHE-1 Inhibitiors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-19 US 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 2/4885MMP2 782/4885MMP3 852/4885

“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.