SCHEMBL5095506

SCHEMBL5095506

NC1=NC(c2ccccc2)(C(F)(F)F)Cc2cc(C(=O)O)ccc21

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 5/20 0.41
SRD5A1 P18405 4/20 0.41
PDK2 Q15119 4/20 0.40
ALDH1A1 P00352 2/20 0.35
TTR P02766 1/20 0.35
PTPRC P08575 2/20 0.34
CYP2C8 P10632 1/20 0.34
CYP2C9 P11712 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
MAP4K4 O95819 1/20 0.34
S1PR1 P21453 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
Trifluoroacetic Acid SCHEMBL5001579 0.97 SRD5A2 (0.39) SRD5A2SRD5A1PDK2ALDH1A1TTR
SCHEMBL5001581 0.86 PDK2 (0.33) PDK2
SCHEMBL8234379 0.83 BACE1 (0.45) CYP2C9
Trifluoroacetic Acid SCHEMBL5001534 0.81 BACE1 (0.43) CYP2C9
SCHEMBL14010655 0.81 NOS3 (0.38) ALDH1A1CYP2C9KDM4EMAPT
SCHEMBL8240599 0.80 PDK2 (0.40) PDK2
Trifluoroacetic Acid SCHEMBL5001889 0.79 PARP1 (0.37) SRD5A2SRD5A1PDK2ALDH1A1
Hydrochloric Acid SCHEMBL5002152 0.79 PDK2 (0.40) PDK2
SCHEMBL14010667 0.79 PDK2 (0.48) PDK2
Trifluoroacetic Acid SCHEMBL5005103 0.76 PDK2 (0.46) PDK2

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-20080293709-A1 Novel 2-Amino-Heterocycles Useful in the Treatment of Abeta-Related Pathologies ASTRAZENECA AB (SE) 2008-11-27 US disclosed
US-20080293709-A1 Novel 2-Amino-Heterocycles Useful in the Treatment of Abeta-Related Pathologies ASTRAZENECA AB (SE) 2008-11-27 US disclosed
EP-1957462-A2 NOVEL 2-AMINO-HETEROCYCLES UDEFUL IN THE TREATMENT OF ABETA-RELATED PATHOLOGIES Astra Zeneca AB (SE) 2008-08-20 EP disclosed
WO-2007058583-A2 NOVEL 2-AMINO-HETEROCYCLES USEFUL IN THE TREATMENT OF ABETA-RELATED PATHOLOGIES ASTRAZENECA AB (SE) 2007-05-24 WO disclosed
WO-2007058583-A2 NOVEL 2-AMINO-HETEROCYCLES USEFUL IN THE TREATMENT OF ABETA-RELATED PATHOLOGIES ASTRAZENECA AB (SE) 2007-05-24 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-20080293709-A1 Novel 2-Amino-Heterocycles Useful in the Treatment of Abeta-Related Pathologies PSEN2, APP, PSEN1 SRD5A2 3088/4885SRD5A1 3248/4885PDK2 2218/4885

“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.