SCHEMBL3464440

SCHEMBL3464440

C[C@H](N)c1cnc(S(C)(=O)=O)o1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.34
PIK3CG P48736 1/20 0.34
APLNR P35414 1/20 0.30

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
SCHEMBL21899214 0.84 PIK3CA (0.35) PIK3CAPIK3CG
SCHEMBL3465638 0.80 PIK3CA (0.32) PIK3CAPIK3CG
Hydrochloric Acid SCHEMBL568758 0.79 PIK3CA (0.32) PIK3CAPIK3CG
SCHEMBL11533784 0.71 PIK3CA (0.40) PIK3CAPIK3CG
SCHEMBL9700791 0.69 LOXL2 (0.34) PIK3CAPIK3CG
SCHEMBL11528398 0.67 PIK3CA (0.35) PIK3CAPIK3CG
SCHEMBL27892601 0.67 NOTUM (0.37) PIK3CAPIK3CG
SCHEMBL3464438 0.66 PIK3CA (0.37) PIK3CAPIK3CG
SCHEMBL22314808 0.64 PIK3CG (0.39) PIK3CAPIK3CG
SCHEMBL28890158 0.64 PIK3CG (0.31) PIK3CG

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 PIK3CA 4416/4885PIK3CG 4598/4885APLNR 2127/4885
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 PIK3CA 2874/4885PIK3CG 3407/4885APLNR 2724/4885

“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.