Sugi Predict

Sugi Predict / Compounds / SCHEMBL588787

SCHEMBL588787

SCHEMBL588787

C[C@@H](c1ccc(Br)cn1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ B3GNT2 Q9NY97 1/20 0.35
▸ S1PR4 O95977 4/20 0.34
▸ S1PR3 Q99500 4/20 0.34
▸ S1PR2 O95136 2/20 0.34
▸ TSHR P16473 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ GBA1 P04062 1/20 0.32
▸ PPARA Q07869 2/20 0.32
▸ RAB9A P51151 3/20 0.31
▸ IDH1 O75874 2/20 0.31
▸ FDPS P14324 1/20 0.31
▸ S1PR1 P21453 1/20 0.31
▸ NPC1 O15118 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ TP53 P04637 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ MAPT P10636 1/20 0.31

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
SCHEMBL588789 1.00 ALDH1A1 (0.40) ALDH1A1KDM4EB3GNT2S1PR4S1PR3
SCHEMBL22587371 0.84 ESR1 (0.42) —
SCHEMBL22587369 0.84 ESR1 (0.42) —
SCHEMBL588484 0.82 APLNR (0.43) MAPK1
SCHEMBL588486 0.82 APLNR (0.43) MAPK1
SCHEMBL347642 0.82 APLNR (0.43) MAPK1
SCHEMBL589586 0.78 KDM4E (0.40) KDM4ES1PR3S1PR1KMT2ASMN1; SMN2
SCHEMBL589588 0.78 KDM4E (0.40) KDM4ES1PR3S1PR1KMT2ASMN1; SMN2
SCHEMBL18040159 0.77 CHRNA1 (0.33) —
SCHEMBL18040161 0.77 CHRNA1 (0.33) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
US-9434719-B2 3-pyrimidin-4-yl-oxazolidin-2-ones as inhibitors of mutant IDH NOVARTIS AG (CH) 2016-09-06 — — US disclosed
US-8114989-B2 Pyrazolylaminopyrimidine derivatives useful as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2012-02-14 — — US disclosed
US-20100210648-A1 PYRAZOLYLAMINOPYRIMIDINE DERIVATIVES USEFUL AS TYROSINE KINASE INHIBITORS ASTRAZENECA R&D (SE) 2010-08-19 — — US disclosed
US-20080287437-A1 Pyrazolylaminopyrimidine Derivatives Useful as Tyrosine Kinase Inhibitors ASTRAZENECA AB (SE) 2008-11-20 — — 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-20080287437-A1 Pyrazolylaminopyrimidine Derivatives Useful as Tyrosine Kinase Inhibitors ABL1, FLT3, ERBB2 ALDH1A1 1326/4885KDM4E 1663/4885B3GNT2 2760/4885
US-20220267309-A1 DIMERIC OR POLYMERIC FORM OF MUTANT IDH INHIBITOR IDH3B, IDH1, IDH3A ALDH1A1 998/4885KDM4E 1050/4885B3GNT2 3844/4885
US-20100210648-A1 PYRAZOLYLAMINOPYRIMIDINE DERIVATIVES USEFUL AS TYROSINE KINASE INHIBITORS ABL1, FLT3, ERBB2 ALDH1A1 1326/4885KDM4E 1663/4885B3GNT2 2760/4885

“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.