SCHEMBL448109

SCHEMBL448109

CC(C#N)(CC(=O)O)Cc1ccc(Br)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 3/20 0.40
CTSK P43235 2/20 0.39
CTSS P25774 1/20 0.39
MME P08473 1/20 0.38
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 2/20 0.36
CYP2C19 P33261 2/20 0.35
HIF1A Q16665 1/20 0.35
BLM P54132 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
TGM2 P21980 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
SCHEMBL446707 0.82 TBXA2R (0.44) TBXA2RMMEMEN1KMT2ALMNA
SCHEMBL450334 0.78 TBXA2R (0.53) TBXA2RMMEMEN1KMT2ALMNA
SCHEMBL1750098 0.78 CTSK (0.43) CTSKCTSSMMEESR1ESR2
SCHEMBL447459 0.76 CYP2C19 (0.50) TBXA2RMMEMEN1KMT2ALMNA
SCHEMBL11827472 0.73 TBXA2R (0.44) TBXA2RMMEMEN1KMT2ALMNA
SCHEMBL28316795 0.71 TBXA2R (0.41) TBXA2RMEN1KMT2ALMNAALDH1A1
SCHEMBL12492687 0.71 BLM (0.46) CTSKCTSSMMEMEN1KMT2A
SCHEMBL5149405 0.71 BLM (0.46) CTSKCTSSMMEMEN1KMT2A
SCHEMBL2175094 0.69 BLM (0.44) CTSKCTSSMMEMEN1KMT2A
SCHEMBL2175090 0.69 BLM (0.44) CTSKCTSSMMEMEN1KMT2A

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-20120065195-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. 2012-03-15 US disclosed
WO-2011123674-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. (US) 2011-10-06 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-20120065195-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES APP, BACE1, PSEN1 TBXA2R 3092/4885CTSK 361/4885CTSS 562/4885

“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.