SCHEMBL338150

SCHEMBL338150

FC(F)(F)c1cc(N[C]=S)cc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
RAPGEF4 Q8WZA2 1/20 0.41
XPO1 O14980 1/20 0.39
GPR35 Q9HC97 1/20 0.38
P2RX1 P51575 4/20 0.38
LMNA P02545 1/20 0.38
KDM4E B2RXH2 2/20 0.38
IDO1 P14902 2/20 0.38
ACP1 P24666 1/20 0.37
CES2 O00748 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MYC P01106 1/20 0.37
MAX P61244 1/20 0.37
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
P2RX4 Q99571 1/20 0.35
P2RX7 Q99572 1/20 0.35

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
SCHEMBL7685858 0.81 MAPT (0.44) MAPTRAPGEF4XPO1GPR35P2RX1
SCHEMBL5208376 0.79 MAPT (0.54) MAPTRAPGEF4KDM4EIDO1MEN1
SCHEMBL131765 0.77 MAPT (0.46) MAPTRAPGEF4XPO1GPR35P2RX1
SCHEMBL5538125 0.77 RAPGEF4 (0.41) MAPTRAPGEF4XPO1GPR35P2RX1
SCHEMBL3246405 0.77 KIF11 (0.47) ALDH1A1
SCHEMBL30414239 0.72 MAPT (0.38) MAPTRAPGEF4XPO1GPR35P2RX1
SCHEMBL394467 0.72 RAPGEF4 (0.59) MAPTRAPGEF4XPO1GPR35P2RX1
SCHEMBL8795017 0.72 MAPT (0.48) MAPTRAPGEF4XPO1GPR35P2RX1
SCHEMBL440959 0.71 CES2 (0.58) MAPTRAPGEF4XPO1GPR35LMNA
SCHEMBL330354 0.69 MAPT (0.55) MAPTRAPGEF4XPO1GPR35P2RX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097750-B2 Highly enantioselective, converting aromatic and aliphatic aldehydes into optically active aryl and alkyl beta -amino acids BRANDEIS UNIVERSITY (US) 2012-01-17 US claimed
US-20080228000-A1 Cinchona Alkaloid-Catalyzed Asymmetric Mannich Reactions BRANDEIS UNIVERSITY (US) 2008-09-18 US claimed
US-8097750-B2 Highly enantioselective, converting aromatic and aliphatic aldehydes into optically active aryl and alkyl beta -amino acids BRANDEIS UNIVERSITY (US) 2012-01-17 US disclosed
US-20080228000-A1 Cinchona Alkaloid-Catalyzed Asymmetric Mannich Reactions BRANDEIS UNIVERSITY (US) 2008-09-18 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-20080228000-A1 Cinchona Alkaloid-Catalyzed Asymmetric Mannich Reactions MANBA, MAN2A1, ASNS MAPT 2045/4885RAPGEF4 4582/4885XPO1 898/4885

“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.