SCHEMBL2921602

SCHEMBL2921602

CC(C)(Cc1ccccc1Br)OC(=O)NCC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.44
CTSS P25774 1/20 0.44
RIPK1 Q13546 1/20 0.44
ALDH1A1 P00352 3/20 0.37
KMT2A Q03164 4/20 0.36
MEN1 O00255 2/20 0.36
RAB9A P51151 2/20 0.36
FFAR4 Q5NUL3 2/20 0.36
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.36
FFAR1 O14842 1/20 0.36
RBP4 P02753 1/20 0.36
P2RX7 Q99572 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGB1 P05556 1/20 0.35
ITGAV P06756 1/20 0.35
ITGA5 P08648 1/20 0.35
KDM4A O75164 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL2929113 0.78 CTSK (0.42) CTSKCTSSALDH1A1KMT2AMEN1
SCHEMBL27852818 0.77 RIPK1 (0.43) CTSKCTSSRIPK1ALDH1A1KMT2A
SCHEMBL2919369 0.76 CTSK (0.46) CTSKCTSSRIPK1RAB9AFFAR4
SCHEMBL1329466 0.76 RIPK1 (0.60) CTSKCTSSRIPK1ALDH1A1KMT2A
SCHEMBL533745 0.74 RAB9A (0.34) ALDH1A1KMT2AMEN1RAB9ANPC1
SCHEMBL3834968 0.73 SIGMAR1 (0.46) CTSKCTSSALDH1A1RAB9ANPC1
SCHEMBL533562 0.73 RBP4 (0.30) RBP4
SCHEMBL29793814 0.70 NQO2 (0.56) CTSKCTSSRIPK1KMT2AMEN1
SCHEMBL1343816 0.70 NQO2 (0.56) CTSKCTSSRIPK1KMT2AMEN1
Benzene SCHEMBL9601031 0.70 MEN1 (0.49) CTSKCTSSALDH1A1KMT2AMEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518912-B2 Phosphonic acid derivates and their use as P2Y12 receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2013-08-27 US disclosed
EP-2225253-B1 PHOSPHONIC ACID DERIVATES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2012-06-27 EP disclosed
US-20100261678-A1 PHOSPHONIC ACID DERIVATES AD THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS VIATRIS ASIA PACIFIC PTE. LTD. (SG) 2010-10-14 US disclosed
EP-2225253-A1 PHOSPHONIC ACID DERIVATES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2010-09-08 EP disclosed
WO-2009069100-A1 PHOSPHONIC ACID DERIVATES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-06-04 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-20100261678-A1 PHOSPHONIC ACID DERIVATES AD THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS P2RY12, P2RY13, P2RY11 CTSK 4627/4885CTSS 4636/4885RIPK1 2077/4885

“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.