Sugi Predict

Sugi Predict / Compounds / SCHEMBL782732

SCHEMBL782732

SCHEMBL782732

CC(C)(O)C(C)(C)OB(O)c1cncc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 10/20 0.34
▸ SLC22A12 Q96S37 1/20 0.34
▸ ERN1 O75460 2/20 0.33
▸ CYP11B1 P15538 9/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2B6 P20813 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ SSTR4 P31391 2/20 0.32
▸ PRKCZ Q05513 1/20 0.32
▸ ADRA2A P08913 1/20 0.31
▸ ADRA2B P18089 1/20 0.31
▸ ADRA2C P18825 1/20 0.31
▸ ADRA1A P35348 1/20 0.31
▸ CYP17A1 P05093 1/20 0.30

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
SCHEMBL5953116 0.82 ALDH1A1 (0.36) CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL29694473 0.76 PRKCZ (0.42) CYP11B2SLC22A12ERN1CYP11B1CYP1A2
SCHEMBL112184 0.76 PRKCZ (0.42) CYP11B2SLC22A12ERN1CYP11B1CYP1A2
Hydrochloric Acid SCHEMBL29951532 0.74 PRKCZ (0.41) CYP11B2SLC22A12ERN1CYP11B1CYP1A2
Hydrochloric Acid SCHEMBL951403 0.74 PRKCZ (0.41) CYP11B2SLC22A12ERN1CYP11B1CYP1A2
SCHEMBL16010147 0.72 NCF1 (0.45) CYP1A2CYP2C19ADRA2AADRA2BADRA2C
SCHEMBL16150302 0.72 ADORA2A (0.43) —
SCHEMBL5899432 0.72 TSHR (0.36) CYP3A4
SCHEMBL16010409 0.71 NCF1 (0.37) SLC22A12CYP3A4CYP2C19SSTR4ADRA2A
SCHEMBL4434307 0.71 CYP3A4 (0.44) CYP3A4CYP2C19SSTR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118679170-A Nitrogen-containing heterocyclic compound, and preparation method and application thereof 上海艾力斯医药科技股份有限公司 2024-09-20 — — CN disclosed
US-11718609-B2 Heparanase inhibitors and use thereof Beta Therapeutics Pty Ltd (AU) 2023-08-08 — — US disclosed
US-20210130338-A1 Heparanase Inhibitors and Use Thereof Beta Therapeutics Pty Ltd (AU) 2021-05-06 — — US disclosed
US-20200093852-A1 Methods of Treating Ocular Disorders Beta Therapeutics Pty Ltd (AU) 2020-03-26 — — US disclosed
EP-3554505-A1 METHODS OF TREATING OCULAR DISORDERS Beta Therapeutics Pty. Ltd. (AU) 2019-10-23 — — EP disclosed
EP-3555051-A1 HEPARANASE INHIBITORS AND USE THEREOF Beta Therapeutics Pty. Ltd. (AU) 2019-10-23 — — EP disclosed
EP-2917181-B1 HETEROARYL DERIVATIVES AND USES THEREOF JACOBUS PHARMACEUTICAL COMPANY INC (US) 2019-09-25 — — EP disclosed
US-10351552-B2 Bicyclic antiparasitic compounds MediSynergies, LLC (US) 2019-07-16 — — US disclosed
US-20190177304-A1 Bicyclic Antiparasitic Compounds MediSynergics, LLC (US) 2019-06-13 — — US disclosed
WO-2018107226-A1 METHODS OF TREATING OCULAR DISORDERS Beta Therapeutics Pty. Ltd. (AU) 2018-06-21 — — WO disclosed
US-8008307-B2 Heteroaryl compounds useful as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-08-30 — — US disclosed
WO-2011095196-A1 HETARYL-[1,8]NAPHTHYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2011-08-11 — — WO disclosed
US-7968725-B2 Pyridinyl modulators of γ-secretase JANSSEN PHARMACEUTICA N.V. (BE) 2011-06-28 — — US disclosed
EP-2321278-A2 PYRIDINYL MODULATORS OF y-SECRETASE Janssen Pharmaceutica, N.V. (BE) 2011-05-18 — — EP disclosed
EP-2049491-B1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARM INC (US) 2010-10-20 — — EP disclosed
WO-2010011626-A2 PYRIDINYL MODULATORS OF ϒ-SECRETASE JANSSEN PHARMACEUTICA NV (BE) 2010-01-28 — — WO disclosed
US-20100022583-A1 PYRIDINYL MODULATORS OF gamma-SECRETASE JANSSEN PHARMACEUTICA N.V. (BE) 2010-01-28 — — US disclosed
EP-2049491-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-22 — — EP disclosed
US-20080051404-A1 Heteroaryl compounds useful as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-02-28 — — US disclosed
WO-2008019124-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-02-14 — — 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 (7 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-10351552-B2 Bicyclic antiparasitic compounds TBCA, NAT1, HDAC1 CYP11B2 97/4885SLC22A12 368/4885ERN1 3952/4885
US-20200093852-A1 Methods of Treating Ocular Disorders ALDH1A2, HPSE, RB1 CYP11B2 4031/4885SLC22A12 3976/4885ERN1 2852/4885
US-20080051404-A1 Heteroaryl compounds useful as inhibitors of E1 activating enzymes RCE1, ECE1, UBE2E1 CYP11B2 1174/4885SLC22A12 4734/4885ERN1 278/4885
US-20190177304-A1 Bicyclic Antiparasitic Compounds TBCA, NAT1, HDAC1 CYP11B2 97/4885SLC22A12 368/4885ERN1 3952/4885
US-20210130338-A1 Heparanase Inhibitors and Use Thereof HPSE, HEXD, ENGASE CYP11B2 4707/4885SLC22A12 1886/4885ERN1 2460/4885
US-11718609-B2 Heparanase inhibitors and use thereof HPSE, HEXD, ENGASE CYP11B2 4707/4885SLC22A12 1886/4885ERN1 2460/4885
US-20100022583-A1 PYRIDINYL MODULATORS OF gamma-SECRETASE BACE1, PSEN1, BACE2 CYP11B2 3859/4885SLC22A12 4839/4885ERN1 1299/4885

“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.