SCHEMBL2391323

SCHEMBL2391323

C[C@H](N[S+]([O-])C(C)(C)C)c1ccc(Br)cn1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
B3GNT2 Q9NY97 1/20 0.36
IDH1 O75874 4/20 0.33
S1PR4 O95977 2/20 0.32
S1PR3 Q99500 2/20 0.32
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
PPARG P37231 1/20 0.32
KMT2A Q03164 1/20 0.32
NCOA2 Q15596 1/20 0.32
NCOA1 Q15788 1/20 0.32
NCOA3 Q9Y6Q9 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
SCHEMBL12310417 1.00 B3GNT2 (0.36) B3GNT2IDH1S1PR4S1PR3MEN1
SCHEMBL12310007 1.00 B3GNT2 (0.36) B3GNT2IDH1S1PR4S1PR3MEN1
SCHEMBL15345244 1.00 B3GNT2 (0.36) B3GNT2IDH1S1PR4S1PR3MEN1
SCHEMBL30458227 1.00 B3GNT2 (0.36) B3GNT2IDH1S1PR4S1PR3MEN1
SCHEMBL2394129 1.00 B3GNT2 (0.36) B3GNT2IDH1S1PR4S1PR3MEN1
SCHEMBL22159231 1.00 B3GNT2 (0.36) B3GNT2IDH1S1PR4S1PR3MEN1
SCHEMBL3238364 0.82 HDAC6 (0.41)
SCHEMBL20758639 0.82 B3GNT2 (0.36) B3GNT2S1PR4S1PR3
SCHEMBL20758632 0.82 B3GNT2 (0.36) B3GNT2S1PR4S1PR3
SCHEMBL346024 0.82 HDAC6 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111825666-B Dimeric or multimeric forms of mutant IDH inhibitors 上海仕谱生物科技有限公司 2024-03-08 CN disclosed
CN-114127060-B Dimeric or multimeric forms of mutant IDH inhibitors 上海仕谱生物科技有限公司 2023-06-13 CN disclosed
US-20220267309-A1 DIMERIC OR POLYMERIC FORM OF MUTANT IDH INHIBITOR Epitas Biosciences (shanghai) Co., Ltd. (CN) 2022-08-25 US disclosed
US-20220267309-A1 DIMERIC OR POLYMERIC FORM OF MUTANT IDH INHIBITOR Epitas Biosciences (shanghai) Co., Ltd. (CN) 2022-08-25 US disclosed
EP-3964508-A1 DIMERIC OR POLYMERIC FORM OF MUTANT IDH INHIBITOR Epitas Biosciences (Shanghai) Co., Ltd. (CN) 2022-03-09 EP disclosed
EP-3964508-A1 DIMERIC OR POLYMERIC FORM OF MUTANT IDH INHIBITOR Epitas Biosciences (Shanghai) Co., Ltd. (CN) 2022-03-09 EP disclosed
CN-114127060-A Dimeric or multimeric forms of mutant IDH inhibitors 上海仕谱生物科技有限公司 2022-03-01 CN disclosed
WO-2020216071-A1 DIMERIC OR POLYMERIC FORM OF MUTANT IDH INHIBITOR 上海仕谱生物科技有限公司 2020-10-29 WO disclosed
WO-2020216071-A1 DIMERIC OR POLYMERIC FORM OF MUTANT IDH INHIBITOR 上海仕谱生物科技有限公司 2020-10-29 WO disclosed
CN-111825666-A Dimeric or multimeric forms of mutant IDH inhibitors 上海仕谱生物科技有限公司 2020-10-27 CN disclosed
WO-2020141439-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2020-07-09 WO disclosed
WO-2020141439-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2020-07-09 WO disclosed
US-20200206233-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2020-07-02 US disclosed
US-20110230457-A1 Substituted Isoquinolinones and Quinazolinones NOVARTIS AG (CH) 2011-09-22 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 (3 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-20200206233-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS IDH1, IDH2, IDH3A B3GNT2 3171/4885IDH1 1/4885S1PR4 4881/4885
US-20110230457-A1 Substituted Isoquinolinones and Quinazolinones MDM4, MDM2, TP53 B3GNT2 3243/4885IDH1 22/4885S1PR4 4253/4885
US-20220267309-A1 DIMERIC OR POLYMERIC FORM OF MUTANT IDH INHIBITOR IDH3B, IDH1, IDH3A B3GNT2 3844/4885IDH1 2/4885S1PR4 4709/4885

“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.