Sugi Predict

Sugi Predict / Compounds / SCHEMBL400208

SCHEMBL400208

SCHEMBL400208

O=CO[C@@H](C(=O)Cl)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 1/20 0.45
▸ CYP2D6 P10635 1/20 0.43
▸ KMT2A Q03164 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ SRC P12931 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CES2 O00748 1/20 0.36
▸ CES1 P23141 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ HCAR2 Q8TDS4 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ HDAC3 O15379 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC7 Q8WUI4 1/20 0.34

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
SCHEMBL3298111 1.00 GLS (0.45) GLSCYP2D6KMT2AALDH1A1CYP3A4
SCHEMBL3036250 0.84 CYP2D6 (0.52) GLSCYP2D6KMT2AALDH1A1CYP3A4
SCHEMBL18220934 0.84 CYP2D6 (0.52) GLSCYP2D6KMT2AALDH1A1CYP3A4
Benzene SCHEMBL28174562 0.84 CYP2D6 (0.52) GLSCYP2D6KMT2AALDH1A1CYP3A4
SCHEMBL3036253 0.84 CYP2D6 (0.52) GLSCYP2D6KMT2AALDH1A1CYP3A4
SCHEMBL11695121 0.83 ESR1 (0.35) GLSCYP2D6KMT2AALDH1A1CYP3A4
SCHEMBL9530923 0.82 GLS (0.46) GLSCYP2D6KMT2AALDH1A1CYP3A4
SCHEMBL9530930 0.81 GLS (0.48) GLSCYP2D6KMT2AALDH1A1CYP3A4
SCHEMBL8103585 0.81 GLS (0.39) GLSALDH1A1LMNA
SCHEMBL9248607 0.79 ALDH1A1 (0.59) GLSCYP2D6KMT2AALDH1A1CYP3A4

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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-121181573-B Cephalosporium containing C-3 tetrahydrofuran derivative and application thereof 重庆汉佩生物科技有限公司 2026-02-27 — — CN disclosed
CN-112552343-B Axial chiral naphthalene-indole phosphine catalyst and preparation method and application thereof 江苏师范大学 2023-03-14 — — CN disclosed
US-20200165238-A1 Heterocyclic Inhibitors of Glutaminase CALITHERA BIOSCIENCES INC. 2020-05-28 — — US disclosed
US-20200165238-A1 Heterocyclic Inhibitors of Glutaminase CALITHERA BIOSCIENCES INC. 2020-05-28 — — US disclosed
EP-3620162-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE Calithera Biosciences Inc. (US) 2020-03-11 — — EP disclosed
US-20190315733-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES INC. 2019-10-17 — — US disclosed
US-20190315733-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES INC. 2019-10-17 — — US disclosed
EP-2782570-B1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES INC (US) 2019-09-18 — — EP disclosed
CN-108250008-A 3,3,3`, 3`- tetramethyl -1,1`- spiro indan -6,6`- diol, derivatives chiral separation methods 浙江大学 2018-07-06 — — CN disclosed
US-9938267-B2 Heterocyclic inhibitors of glutaminase CALITHERA BIOSCIENCES, INC. (US) 2018-04-10 — — US disclosed
EP-2308879-A1 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI Pharmaceuticals, Inc. (US) 2011-04-13 — — EP disclosed
EP-2305682-A1 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI Pharmaceuticals, Inc. (US) 2011-04-06 — — EP disclosed
US-7820662-B2 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI PHARMACEUTICALS, INC. (US) 2010-10-26 — — US disclosed
US-20090325928-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors OSI PHARMACEUTICALS, INC. 2009-12-31 — — US disclosed
EP-1740591-B1 6,6-BICYCLIC RING SUBSTITUTED HETEROBICYCLIC PROTEIN KINASE INHIBITORS OSI PHARM INC (US) 2009-06-17 — — EP disclosed
US-7534797-B2 6,6-Bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI PHARMACEUTICALS, INC. (US) 2009-05-19 — — US disclosed
US-20090118499-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors OSI PHARMACEUTICALS, INC. 2009-05-07 — — US disclosed
US-20060235031-A1 6,6-Bicyclic ring substituted heterobicyclic protein kinase inhibitors ACERTA PHARMA B.V. (NL) 2006-10-19 — — US disclosed
US-4801704-A PENICILLINS HOFFMAN-LA ROCHE INC. (US) 1989-01-31 — — US disclosed
EP-0206000-A1 (2,3)-Alpha-methylenepenam-3-carboxylic acids and derivatives thereof F. HOFFMANN-LA ROCHE AG (CH) 1986-12-30 — — 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 (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-20190315733-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL GLS 1/4885CYP2D6 1350/4885KMT2A 850/4885
US-20090325928-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors IGF1R, MAP2K7, BRCA1 GLS 3661/4885CYP2D6 467/4885KMT2A 3065/4885
US-20200165238-A1 Heterocyclic Inhibitors of Glutaminase GLS, GLS2, GLUL GLS 1/4885CYP2D6 1350/4885KMT2A 850/4885
US-20090118499-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors IGF1R, MAP2K7, BRCA1 GLS 3661/4885CYP2D6 467/4885KMT2A 3065/4885
US-20060235031-A1 6,6-Bicyclic ring substituted heterobicyclic protein kinase inhibitors IGF1R, MAP2K7, BRCA1 GLS 3661/4885CYP2D6 467/4885KMT2A 3065/4885

“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.