SCHEMBL1990364

SCHEMBL1990364

CS(=O)(=O)N(c1cc(F)cc(C(=O)NCC(O)c2ccncc2)c1)C1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.38
RIPK1 Q13546 1/20 0.36
TP53 P04637 3/20 0.35
IDO1 P14902 1/20 0.33
DDR1 Q08345 1/20 0.33
KMT2A Q03164 1/20 0.33
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
JAK3 P52333 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
KCNH2 Q12809 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
P2RX7 Q99572 1/20 0.32

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
SCHEMBL1551573 0.90 SMN1; SMN2 (0.43) F2KMT2ALMNASMN1; SMN2KCNH2
SCHEMBL3401787 0.89 F2 (0.39) F2RIPK1TP53IDO1DDR1
SCHEMBL3234879 0.88 F2 (0.38) F2RIPK1KMT2ALMNASMN1; SMN2
SCHEMBL3406126 0.87 F2 (0.38) F2RIPK1TP53DDR1LMNA
SCHEMBL3406663 0.87 DDR1 (0.38) F2RIPK1TP53DDR1LMNA
SCHEMBL3661828 0.87 F2 (0.37) F2RIPK1TP53DDR1LMNA
SCHEMBL1989761 0.87 BACE1 (0.38) IDO1KMT2A
SCHEMBL1989363 0.86 KMT2A (0.40) F2KMT2ALMNASMN1; SMN2
SCHEMBL1551683 0.85 CYP3A4 (0.42) F2TP53KMT2ALMNASMN1; SMN2
SCHEMBL1995651 0.84 F2 (0.36) F2TP53IDO1SMN1; SMN2P2RX7

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-20110152236-A1 AZETIDINE POLYSUBSTITUTED COMPOUNDS, PREPARATION THEREOF, AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2011-06-23 US claimed
US-20110152236-A1 AZETIDINE POLYSUBSTITUTED COMPOUNDS, PREPARATION THEREOF, AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2011-06-23 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-20110152236-A1 AZETIDINE POLYSUBSTITUTED COMPOUNDS, PREPARATION THEREOF, AND THERAPEUTIC APPLICATION THEREOF C1R, TACR1, C1S F2 1930/4885RIPK1 4878/4885TP53 2632/4885

“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.