SCHEMBL338151

SCHEMBL338151

FC(F)(F)c1cc(NC=S)cc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
RAPGEF4 Q8WZA2 1/20 0.41
P2RX1 P51575 5/20 0.40
XPO1 O14980 1/20 0.39
P2RX4 Q99571 1/20 0.39
P2RX7 Q99572 1/20 0.39
GPR35 Q9HC97 1/20 0.38
LMNA P02545 1/20 0.38
IDO1 P14902 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ACP1 P24666 1/20 0.37
CES2 O00748 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
MYC P01106 1/20 0.37
MAX P61244 1/20 0.37
TMPRSS4 Q9NRS4 1/20 0.37

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
SCHEMBL9870952 0.79 MEN1 (0.55) MAPTRAPGEF4IDO1KDM4E
SCHEMBL3246408 0.77 CA1 (0.48) MAPTCA12CA1CA2CA9
SCHEMBL131766 0.77 MAPT (0.46) MAPTRAPGEF4P2RX1XPO1P2RX4
SCHEMBL5443551 0.72 KIF11 (0.57) CA1CA2
SCHEMBL8795017 0.72 MAPT (0.48) MAPTRAPGEF4P2RX1XPO1P2RX4
SCHEMBL394467 0.72 RAPGEF4 (0.59) MAPTRAPGEF4P2RX1XPO1GPR35
SCHEMBL440959 0.71 CES2 (0.58) MAPTRAPGEF4XPO1GPR35LMNA
SCHEMBL11545594 0.70 GAA (0.45) MAPTRAPGEF4P2RX1GPR35LMNA
SCHEMBL16628066 0.69 MAPT (0.50) MAPTRAPGEF4P2RX1XPO1P2RX4
SCHEMBL330354 0.69 MAPT (0.55) MAPTRAPGEF4P2RX1XPO1P2RX4

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 4582/4885P2RX1 4280/4885

“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.