SCHEMBL1870872

SCHEMBL1870872

O=[N+]([O-])c1ccc(S(=O)(=O)Cl)c(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.53
PDE7A Q13946 1/20 0.46
ALDH1A1 P00352 4/20 0.45
MEN1 O00255 2/20 0.44
PKM P14618 2/20 0.44
KMT2A Q03164 2/20 0.44
HSD11B1 P28845 2/20 0.44
FFAR4 Q5NUL3 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA5A P35218 1/20 0.41
CA9 Q16790 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RORC P51449 1/20 0.40
PTPRC P08575 1/20 0.40
S100A4 P26447 1/20 0.40
AR P10275 3/20 0.39

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
SCHEMBL27895288 0.87 PDE7A (0.48) PDE7AALDH1A1MEN1PKMKMT2A
SCHEMBL11273834 0.85 HSD17B10 (0.42) PDE7AALDH1A1MEN1KMT2AHSD11B1
SCHEMBL8142655 0.84 PDE7A (0.46) PDE7AALDH1A1MEN1PKMKMT2A
SCHEMBL2029532 0.84 ALDH1A1 (0.46) PDE7AALDH1A1MEN1PKMKMT2A
SCHEMBL19071925 0.84 ALDH1A1 (0.48) PDE7AALDH1A1MEN1PKMKMT2A
SCHEMBL6194504 0.84 PDE7A (0.49) PDE7AALDH1A1MEN1PKMKMT2A
SCHEMBL3589341 0.81 ALDH1A1 (0.44) PDE7AALDH1A1MEN1PKMKMT2A
SCHEMBL11433652 0.80 ALDH1A1 (0.60) PDE7AALDH1A1MEN1PKMKMT2A
SCHEMBL5759569 0.80 CA12 (0.53) PDE7AALDH1A1MEN1PKMKMT2A
SCHEMBL10430055 0.79 KMT2A (0.55) PDE7AALDH1A1MEN1PKMKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230242496-A1 SOX11 INHIBITORS FOR TREATING MANTLE CELL LYMPHOMA ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2023-08-03 US disclosed
EP-4164622-A1 SOX11 INHIBITORS FOR TREATING MANTLE CELL LYMPHOMA Icahn School of Medicine at Mount Sinai (US) 2023-04-19 EP disclosed
WO-2021257544-A1 SOX11 INHIBITORS FOR TREATING MANTLE CELL LYMPHOMA ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2021-12-23 WO disclosed
US-8946197-B2 Transglutaminase TG2 inhibitors, pharmaceutical compositions, and methods of use thereof CHDI FOUNDATION, INC. (US) 2015-02-03 US disclosed
US-8946197-B2 Transglutaminase TG2 inhibitors, pharmaceutical compositions, and methods of use thereof CHDI FOUNDATION, INC. (US) 2015-02-03 US disclosed
US-8946197-B2 Transglutaminase TG2 inhibitors, pharmaceutical compositions, and methods of use thereof CHDI FOUNDATION, INC. (US) 2015-02-03 US disclosed
US-20130116216-A1 TRANSGLUTAMINASE TG2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF EVOTEC (UK) LTD. (GB) 2013-05-09 US disclosed
US-20130116216-A1 TRANSGLUTAMINASE TG2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF EVOTEC (UK) LTD. (GB) 2013-05-09 US disclosed
US-20130116216-A1 TRANSGLUTAMINASE TG2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF EVOTEC (UK) LTD. (GB) 2013-05-09 US disclosed
WO-2011060321-A1 TRANSGLUTAMINASE TG2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI, INC. (US) 2011-05-19 WO disclosed
EP-0365763-A1 Antiproliferative cyclic compounds AGOURON PHARMACEUTICALS, INC. (US) 1990-05-02 EP 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 (2 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-20230242496-A1 SOX11 INHIBITORS FOR TREATING MANTLE CELL LYMPHOMA BCL6, SOX18, BCL3 TRPV4 4578/4885PDE7A 4480/4885ALDH1A1 2654/4885
US-20130116216-A1 TRANSGLUTAMINASE TG2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF HTT, TGM2, GRN TRPV4 3090/4885PDE7A 876/4885ALDH1A1 3161/4885

“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.