SCHEMBL1636607

SCHEMBL1636607

O=C(O)Cc1cccc(F)c1CBr

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 2/20 0.50
AKR1B1 P15121 2/20 0.46
TDP1 Q9NUW8 1/20 0.44
PTGS2 P35354 4/20 0.43
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 2/20 0.41
DUSP3 P51452 1/20 0.40
PTPN5 P54829 1/20 0.40
PTPN11 Q06124 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL869978 0.79 PTGS2 (0.51) CXCL8AKR1B1TDP1PTGS2MEN1
SCHEMBL3304485 0.78 TAAR1 (0.38) ALDH1A1KDM4E
SCHEMBL503912 0.78 AKR1B1 (0.56) CXCL8AKR1B1PTGS2MEN1ALDH1A1
SCHEMBL25679309 0.78 CXCL8 (0.53) CXCL8AKR1B1TDP1PTGS2MEN1
SCHEMBL30558299 0.78 CXCL8 (0.53) CXCL8AKR1B1TDP1PTGS2MEN1
SCHEMBL723768 0.77 CXCL8 (0.56) CXCL8AKR1B1TDP1PTGS2KDM4E
SCHEMBL18984003 0.77 GABRA1 (0.46) ALDH1A1KDM4E
SCHEMBL8127229 0.77 TAAR1 (0.38) MEN1ALDH1A1KMT2AKDM4E
SCHEMBL29533621 0.77 CXCL8 (0.65) CXCL8AKR1B1TDP1PTGS2MEN1
Hydrochloric Acid SCHEMBL1372001 0.77 AKR1B1 (0.54) CXCL8AKR1B1PTGS2MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7932376-B2 Pyrimidine-based non-nucleotide composition and method for inhibiting platelet aggregation INSPIRE PHARMACEUTICALS, INC. (US) 2011-04-26 US disclosed
WO-2006121856-A2 PYRIMIDINE-BASED NON-NUCLEOTIDE COMPOSITION AND METHOD FOR INHIBITING PLATELET AGGREGATION INSPIRE PHARMACEUTICALS INC. (US) 2006-11-16 WO disclosed
US-20060258614-A1 Pyrimidine-based non-nucleotide composition and method for inhibiting platelet aggregation INSPIRE PHARMACEUTICALS, INC. 2006-11-16 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 (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-20060258614-A1 Pyrimidine-based non-nucleotide composition and method for inhibiting platelet aggregation P2RY12, P2RY11, P2RY13 CXCL8 651/4885AKR1B1 1634/4885TDP1 245/4885

“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.