Sugi Predict

Sugi Predict / Compounds / SCHEMBL299768

SCHEMBL299768

SCHEMBL299768

O=C(O)OCc1cc(=O)oc2cc(O)c(Br)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 5/20 0.52
▸ AKR1B1 P15121 2/20 0.52
▸ KDM4E B2RXH2 4/20 0.47
▸ LMNA P02545 3/20 0.47
▸ NPC1 O15118 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ HSD17B3 P37058 3/20 0.44
▸ LCK P06239 1/20 0.44
▸ FYN P06241 1/20 0.44
▸ GRB2 P62993 1/20 0.44
▸ POLB P06746 3/20 0.42
▸ GLA P06280 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41

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
SCHEMBL29806171 1.00 MCL1 (0.52) MCL1AKR1B1KDM4ELMNANPC1
SCHEMBL299767 0.90 MCL1 (0.50) MCL1AKR1B1KDM4ELMNANPC1
SCHEMBL5336455 0.88 KDM4E (0.48) MCL1AKR1B1KDM4ELMNANPC1
SCHEMBL13901263 0.84 NPC1 (0.45) MCL1AKR1B1KDM4ELMNANPC1
SCHEMBL14930073 0.83 HSD17B3 (0.63) MCL1AKR1B1KDM4ELMNANPC1
SCHEMBL17553059 0.82 MCL1 (0.43) MCL1AKR1B1KDM4ELMNANPC1
SCHEMBL17553162 0.82 MCL1 (0.43) MCL1AKR1B1KDM4ELMNANPC1
SCHEMBL16010021 0.82 MCL1 (0.42) MCL1AKR1B1KDM4ELMNANPC1
SCHEMBL6403952 0.81 MCL1 (0.49) MCL1AKR1B1KDM4ELMNANPC1
SCHEMBL6403956 0.81 MCL1 (0.49) MCL1AKR1B1KDM4ELMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2727915-B1 Synthesis of deuterated catechols and benzo[d][1,3]dioxoles and derivatives thereof CONCERT PHARMACEUTICALS INC (US) 2016-04-13 — — EP claimed
EP-2727915-A1 Synthesis of deuterated catechols and benzo[d][1,3]dioxoles and derivatives thereof Concert Pharmaceuticals Inc. (US) 2014-05-07 — — EP claimed
EP-4419513-B1 ANTITUMORAL COMPOUNDS PHARMA MAR SA (ES) 2025-08-27 — — EP disclosed
US-12384800-B2 Antitumoral compounds PHARMA MAR, S.A. (ES) 2025-08-12 — — US disclosed
US-20250243174-A1 ANTITUMORAL COMPOUNDS PHARMA MAR, S.A. (ES) 2025-07-31 — — US disclosed
WO-2025077996-A1 SYNTHETIC PROCESS FOR THE MANUFACTURE OF ECTEINASCIDIN COMPOUNDS PHARMA MAR, S.A. (ES) 2025-04-17 — — WO disclosed
WO-2025050647-A1 IONIZABLE CATIONIC LIPID COMPOUNDS AS WELL AS PREPARATION METHOD THEREFOR AND USE THEREOF 晟迪生物医药(苏州)有限公司 2025-03-13 — — WO disclosed
US-12215100-B2 Anticancer compounds PHARMA MAR, S.A. (ES) 2025-02-04 — — US disclosed
CN-118139851-A Antitumor compounds 法马马有限公司 2024-06-04 — — CN disclosed
US-20240166666-A1 ANTITUMORAL COMPOUNDS PHARMA MAR SA (ES) 2024-05-23 — — US disclosed
CN-117986153-A Ionizable cationic lipid compound, and preparation method and application thereof 晟迪生物医药(苏州)有限公司 2024-05-07 — — CN disclosed
US-20090186938-A1 ANTITUMORAL DIHYDROPYRAN-2-ONE COMPOUNDS PHARMA MAR, S.A. (ES) 2009-07-23 — — US disclosed
WO-2009080769-A1 ANTITUMORAL COMPOUNDS PHARMA MAR, S.A. (ES) 2009-07-02 — — WO disclosed
WO-2009080761-A1 ANTITUMORAL COMPOUNDS PHARMA MAR, S.A. (ES) 2009-07-02 — — WO disclosed
WO-2009077401-A1 ANTITUMORAL COMPOUNDS PHARMA MAR, S.A. (ES) 2009-06-25 — — WO disclosed
US-20090143432-A1 Synthesis of deuterated catechols and benzo[D][1,3]dioxoles and derivatives thereof CONCERT PHARMACEUTICALS, INC. (US) 2009-06-04 — — US disclosed
WO-2009035652-A1 SYNTHESIS OF DEUTERATED CATECHOLS AND BENZO[D][1,3] DIOXOLES AND DERIVATIVES THEREOF CONCERT PHARMACEUTICALS, INC. (US) 2009-03-19 — — WO disclosed
EP-2032551-A1 ANTITUMORAL DIHYDROPYRAN-2-ONE COMPOUNDS PHARMA MAR, S.A. (ES) 2009-03-11 — — EP disclosed
WO-2009017671-A1 SYNTHESIS OF INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-02-05 — — WO disclosed
WO-2007144423-A1 ANTITUMORAL DIHYDROPYRAN-2-ONE COMPOUNDS PHARMA MAR, S.A. (ES) 2007-12-21 — — WO 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 (6 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-12384800-B2 Antitumoral compounds TP53, TOP1, MCL1 MCL1 3/4885AKR1B1 546/4885KDM4E 3931/4885
US-20250243174-A1 ANTITUMORAL COMPOUNDS MCL1, XPOT, GZMB MCL1 1/4885AKR1B1 830/4885KDM4E 2871/4885
US-20090143432-A1 Synthesis of deuterated catechols and benzo[D][1,3]dioxoles and derivatives thereof COMT, DRD2, DRD3 MCL1 3538/4885AKR1B1 1444/4885KDM4E 755/4885
US-20240166666-A1 ANTITUMORAL COMPOUNDS TP53, TOP1, MCL1 MCL1 3/4885AKR1B1 546/4885KDM4E 3931/4885
US-20090186938-A1 ANTITUMORAL DIHYDROPYRAN-2-ONE COMPOUNDS RPLP1, PKD1, KRAS MCL1 141/4885AKR1B1 1612/4885KDM4E 4564/4885
US-12215100-B2 Anticancer compounds TP53, MCL1, MYC MCL1 2/4885AKR1B1 1667/4885KDM4E 3330/4885

“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.