SCHEMBL3465101

SCHEMBL3465101

C[C@H](N)c1cncc(S(N)(=O)=O)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.52
ALDH1A1 P00352 1/20 0.37
PIK3CD O00329 1/20 0.35
PIK3CG P48736 1/20 0.35
CA2 P00918 9/20 0.34
CA1 P00915 8/20 0.34
CA9 Q16790 7/20 0.34
CA7 P43166 3/20 0.34
CA5A P35218 2/20 0.34
CA5B Q9Y2D0 2/20 0.34
CHRNA7 P36544 3/20 0.33
CA4 P22748 1/20 0.33
CA12 O43570 4/20 0.32
CA3 P07451 2/20 0.32
CA6 P23280 1/20 0.32
APEX1 P27695 1/20 0.31
CYP2C19 P33261 1/20 0.31
SCN10A Q9Y5Y9 1/20 0.31

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
SCHEMBL19321631 0.87 APLNR (0.53) APLNRALDH1A1PIK3CDPIK3CGCA2
SCHEMBL568458 0.85 GPR55 (0.40) APLNRPIK3CDPIK3CG
SCHEMBL3464429 0.82 GAA (0.35) APLNRALDH1A1CYP2C19
SCHEMBL3465380 0.81 APLNR (0.47) APLNRALDH1A1PIK3CDPIK3CGCA2
SCHEMBL31028733 0.79 APLNR (0.53) APLNRPIK3CDPIK3CGCA2CA1
SCHEMBL3465207 0.78 APLNR (0.45) APLNRCA2CA1CA9CA7
SCHEMBL3465680 0.78 APLNR (0.45) APLNRCA2CA1CA9CA7
SCHEMBL11690551 0.77 APLNR (0.71) APLNRPIK3CDPIK3CGCA2CA1
SCHEMBL18246431 0.73 APLNR (0.50) APLNRALDH1A1PIK3CDPIK3CGCA2
SCHEMBL5149401 0.72 APLNR (0.59) APLNRALDH1A1PIK3CDPIK3CGCA2

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
EP-2346868-B1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2016-01-27 EP disclosed
US-8338610-B2 Pyridinyl compounds useful as intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-25 US disclosed
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-31 US disclosed
US-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 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 (2 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-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 APLNR 2127/4885ALDH1A1 523/4885PIK3CD 4069/4885
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 APLNR 2724/4885ALDH1A1 268/4885PIK3CD 3284/4885

“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.