SCHEMBL21020612

SCHEMBL21020612

CC(C)S(=O)(=O)c1ccnc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 1/20 0.47
▸ NR1H2 P55055 4/20 0.44
▸ NR1H3 Q13133 4/20 0.44
▸ LOXL2 Q9Y4K0 2/20 0.42
▸ LOX P28300 1/20 0.41
▸ AR P10275 1/20 0.39
▸ FEN1 P39748 2/20 0.38
▸ KCNQ2 O43526 1/20 0.38
▸ SMARCA2 P51531 1/20 0.37
▸ SMARCA4 P51532 1/20 0.37
▸ ADAMTS4 O75173 1/20 0.37
▸ MMP13 P45452 1/20 0.37
▸ NOTUM Q6P988 1/20 0.36
▸ IDO1 P14902 1/20 0.36
▸ KDM5B Q9UGL1 1/20 0.36
▸ RIPK1 Q13546 1/20 0.36

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
SCHEMBL5700160 0.80 SYK (0.47) HRH4NR1H2NR1H3LOXL2LOX
SCHEMBL30015071 0.77 SMARCA2 (0.46) LOXL2LOXARKCNQ2SMARCA2
SCHEMBL15454569 0.77 SMARCA2 (0.46) LOXL2LOXARKCNQ2SMARCA2
SCHEMBL2566196 0.77 LOXL2 (0.46) LOXL2LOXARKCNQ2SMARCA2
SCHEMBL29529396 0.75 TRPV4 (0.47) HRH4NR1H2NR1H3FEN1KDM5B
SCHEMBL17694102 0.75 HRH4 (0.38) HRH4NR1H2NR1H3RIPK1
Hydrochloric Acid SCHEMBL27991102 0.75 LOXL2 (0.47) LOXL2LOXARKCNQ2SMARCA2
SCHEMBL10060473 0.71 CA2 (0.48) NR1H2NR1H3
SCHEMBL179263 0.71 LOXL2 (0.47) LOXL2LOXARSMARCA2SMARCA4
SCHEMBL2629467 0.70 CA1 (0.56) ARMMP13

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-20210353610-A1 SMALL MOLECULE MENIN INHIBITORS SERVIER PHARMACEUTICALS LLC 2021-11-18 — — US disclosed
US-20210198237-A1 PIPERIDINES AS MENIN INHIBITORS UNIV MICHIGAN REGENTS (US) 2021-07-01 — — US disclosed
US-11045448-B2 Piperidines as covalent menin inhibitors THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2021-06-29 — — US disclosed
US-20210115018-A1 PIPERIDINE COMPOUNDS AS COVALENT MENIN INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2021-04-22 — — US disclosed
US-20190152947-A1 PIPERIDINES AS MENIN INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2019-05-23 — — 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 (5 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-20210353610-A1 SMALL MOLECULE MENIN INHIBITORS MEN1, BRCA1, KRAS HRH4 1713/4885NR1H2 4252/4885NR1H3 4417/4885
US-20210198237-A1 PIPERIDINES AS MENIN INHIBITORS MEN1, WFS1, BRCA1 HRH4 964/4885NR1H2 4174/4885NR1H3 4340/4885
US-20210115018-A1 PIPERIDINE COMPOUNDS AS COVALENT MENIN INHIBITORS MEN1, BRCA1, PRMT1 HRH4 1151/4885NR1H2 4385/4885NR1H3 4596/4885
US-20190152947-A1 PIPERIDINES AS MENIN INHIBITORS MEN1, GDI2, GNAQ HRH4 655/4885NR1H2 4164/4885NR1H3 4383/4885
US-11045448-B2 Piperidines as covalent menin inhibitors MEN1, H1-10, HDAC10 HRH4 637/4885NR1H2 4295/4885NR1H3 4561/4885

“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.

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