SCHEMBL805076

SCHEMBL805076

CCC(C)c1cncc(S(C)(=O)=O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR55 Q9Y2T6 2/20 0.39
ALDH1A1 P00352 3/20 0.36
GAA P10253 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
CCR1 P32246 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
USP2 O75604 1/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PIK3CG P48736 5/20 0.33
PIK3CD O00329 2/20 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
SCHEMBL12264494 0.87 CCR1 (0.42) GPR55CCR1PIK3CGPIK3CDPIK3CA
SCHEMBL799288 0.82 GPR55 (0.42) GPR55CCR1PIK3CGPIK3CDPIK3CA
SCHEMBL21555761 0.82 CCR1 (0.37) GPR55TP53CCR1PIK3CG
SCHEMBL3465080 0.81 CCR1 (0.38) GPR55CCR1PIK3CGPIK3CDPIK3CA
SCHEMBL3466093 0.81 CCR1 (0.38) GPR55CCR1PIK3CGPIK3CDPIK3CA
SCHEMBL568458 0.79 GPR55 (0.40) GPR55CCR1PIK3CGPIK3CDPIK3CA
SCHEMBL2398918 0.76 CCR1 (0.43) GPR55CCR1PIK3CGPIK3CDPIK3CA
SCHEMBL3466773 0.76 CCR1 (0.43) GPR55CCR1PIK3CGPIK3CDPIK3CA
SCHEMBL10180313 0.75 HDAC4 (0.53) ALDH1A1GAAHDAC4HDAC2HDAC8
Hydrochloric Acid SCHEMBL2398909 0.74 CCR1 (0.43) GPR55CCR1PIK3CGPIK3CDPIK3CA

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-20190134040-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS INCYTE CORPORATION 2019-05-09 US disclosed
US-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-03-22 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-20190134040-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB GPR55 2229/4885ALDH1A1 3232/4885GAA 1444/4885
US-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY MTOR, STAT3, SLC14A1 GPR55 3736/4885ALDH1A1 3750/4885GAA 1336/4885

“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.