SCHEMBL7993152

SCHEMBL7993152

CS(=O)(=O)c1cc(C(=O)NC(=N)N)ccc1C1CCN(C(=O)c2cccc(N)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 9/20 0.50
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
MGLL Q99685 1/20 0.45
L3MBTL3 Q96JM7 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP3A4 P08684 1/20 0.41
PARP10 Q53GL7 1/20 0.39
FASN P49327 1/20 0.39
RBP4 P02753 1/20 0.39
CCR3 P51677 1/20 0.39
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL7995334 0.89 SLC9A1 (0.49) SLC9A1CA12CA1CA2CA7
SCHEMBL1763396 0.88 RBP4 (0.54) SLC9A1MGLLCYP3A4RBP4
SCHEMBL1763189 0.88 SLC9A1 (0.51) SLC9A1L3MBTL3L3MBTL1CYP3A4FASN
SCHEMBL1763603 0.87 SLC9A1 (0.52) SLC9A1L3MBTL1CYP3A4PARP10CYP2C9
SCHEMBL1763470 0.85 SLC9A1 (0.67) SLC9A1CYP3A4
SCHEMBL1764149 0.83 SLC9A1 (0.69) SLC9A1CYP3A4CYP2C9CYP2C19
SCHEMBL8000352 0.82 SLC9A1 (0.58) SLC9A1CYP3A4RBP4CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL8896835 0.82 SLC9A1 (0.49) SLC9A1
SCHEMBL1763532 0.80 SLC9A1 (0.55) SLC9A1CYP3A4CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL8896320 0.80 SLC9A1 (0.47) SLC9A1

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
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 2/4885CA12 2879/4885CA1 1186/4885

“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.