SCHEMBL1763602

SCHEMBL1763602

CS(=O)(=O)c1ccc(C(=O)N2CC=C(c3ccc(C(=O)NC(=N)NC(=O)OCc4ccccc4)cc3C(F)(F)F)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.39
LMNA P02545 1/20 0.38
BTK Q06187 3/20 0.38
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
CYP3A4 P08684 1/20 0.36
SLC9A1 P19634 1/20 0.36
PTGDR2 Q9Y5Y4 3/20 0.35
PTPN1 P18031 1/20 0.34
SLC6A9 P48067 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GPR119 Q8TDV5 1/20 0.33

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
SCHEMBL1763534 0.84 BTK (0.41) BTKMMP2MMP3PTGDR2
SCHEMBL1763732 0.84 CYP2D6 (0.39) BTKMMP2MMP3SLC9A1PTGDR2
SCHEMBL1764089 0.83 SLC9A1 (0.46) LMNAMMP2MMP3CYP3A4SLC9A1
SCHEMBL1763560 0.82 SLC9A1 (0.55) LMNACYP3A4SLC9A1
SCHEMBL1763596 0.77 SLC9A1 (0.57) P2RX7CYP3A4SLC9A1
SCHEMBL1764257 0.75 SLC9A1 (0.47) CYP3A4SLC9A1
SCHEMBL1763592 0.74 SLC9A1 (0.49) LMNAMMP2MMP3CYP3A4SLC9A1
SCHEMBL1763934 0.73 SLC9A1 (0.54) CYP3A4SLC9A1
SCHEMBL12593566 0.73 NAMPT (0.38) LMNAMMP2MMP3CYP3A4SLC9A1
SCHEMBL1763563 0.72 SLC9A1 (0.51) CYP3A4SLC9A1

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 1 patent. 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

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 P2RX7 906/4885LMNA 3754/4885BTK 4052/4885

“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.