SCHEMBL30879810

SCHEMBL30879810

[2H]NC(=O)c1nc([S+](C)[O-])oc1-c1ccc(F)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.36
PTGS1 P23219 3/20 0.36
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
NQO2 P16083 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
GRM2 Q14416 1/20 0.30
CYP1A2 P05177 1/20 0.30
POLB P06746 1/20 0.30
HSP90AA1 P07900 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
CYP2C19 P33261 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL14692555 0.84 BCL2L1 (0.37) PTGS2PTGS1MEN1KMT2ASMN1; SMN2
SCHEMBL30879808 0.77 HIPK4 (0.45) PTGS2PTGS1MEN1KMT2ASMN1; SMN2
SCHEMBL30879819 0.76 PTGS2 (0.42) PTGS2PTGS1SMN1; SMN2KDM4EALDH1A1
SCHEMBL30879822 0.72 CDC7 (0.38) PTGS2PTGS1SMN1; SMN2ALDH1A1
SCHEMBL30879814 0.72 PTGS2 (0.34) PTGS2PTGS1SMN1; SMN2KDM4EALDH1A1
SCHEMBL20376624 0.72 IKBKB (0.38) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL15947005 0.65 PTGS2 (0.50) PTGS2PTGS1SMN1; SMN2KDM4EALDH1A1
SCHEMBL14705893 0.64 SMN1; SMN2 (0.45) PTGS1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL3117219 0.63 IKBKB (0.66) MEN1KMT2AKDM4EGRM2CCR6
SCHEMBL1398803 0.62 PTGS2 (0.50) PTGS2PTGS1MEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240139194-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS VIBLIOME THERAPEUTICS, LLC 2024-05-02 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-20240139194-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS ABL1, ERBB2, MAP3K2 PTGS2 3631/4885PTGS1 4293/4885MEN1 2114/4885

“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.