Sugi Predict

Sugi Predict / Compounds / SCHEMBL41248

SCHEMBL41248

SCHEMBL41248

C[C](C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.55
▸ GABRB2 P47870 1/20 0.55
▸ RXRA P19793 5/20 0.42
▸ RXRB P28702 5/20 0.42
▸ RXRG P48443 3/20 0.42
▸ RARA P10276 1/20 0.41
▸ RARB P10826 1/20 0.41
▸ RARG P13631 1/20 0.41
▸ MAPT P10636 3/20 0.40
▸ GAA P10253 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ HDAC3 O15379 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ ALOX15 P16050 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ MAPK1 P28482 1/20 0.38

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
SCHEMBL16952205 0.89 CES2 (0.50) GABRA1GABRB2RXRARXRBRXRG
SCHEMBL16951056 0.85 RXRA (0.44) GABRA1GABRB2RXRARXRBRXRG
SCHEMBL16960152 0.84 NOTUM (0.41) GABRA1GABRB2RXRARXRBRXRG
SCHEMBL16959474 0.84 GABRA1 (0.39) GABRA1GABRB2RXRARXRBRXRG
SCHEMBL28490710 0.84 POLB (0.41) GABRA1GABRB2RXRARXRBRXRG
SCHEMBL16954308 0.84 GABRA1 (0.39) GABRA1GABRB2RXRARXRBRXRG
SCHEMBL16959449 0.80 CA1 (0.44) GABRA1GABRB2MAPTGAAKDM4E
SCHEMBL16956814 0.80 GABRA1 (0.37) GABRA1GABRB2RXRARXRBRXRG
SCHEMBL16953108 0.80 HSPA5 (0.38) GABRA1GABRB2RXRARXRBRXRG
SCHEMBL16954872 0.80 GABRA1 (0.37) GABRA1GABRB2RXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3068405-B1 PYRROLO [1,2,F][1,2,4]TRIAZINES USEFUL FOR TREATING RESPIRATORY SYNCITIAL VIRUS INFECTIONS GILEAD SCIENCES INC (US) 2019-05-01 — — EP claimed
CN-105899216-B Pyrrolo [1,2-f ] [1,2,4] triazines useful for the treatment of respiratory syncytial virus infection 吉利德科学公司 2019-03-05 — — CN claimed
EP-3323414-A1 INHIBITORS OF NEDD8-ACTIVATING ENZYME Millennium Pharmaceuticals, Inc. (US) 2018-05-23 — — EP claimed
US-9493469-B2 Piperidine inhibitors of Janus kinase 3 AUSPEX PHARMACEUTICALS, INC. (US) 2016-11-15 — — US 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
US-11999757-B2 Synthesis of boronate ester derivatives and uses thereof MELINTA SUBSIDIARY CORP. (US) 2024-06-04 — — US disclosed
CN-111556872-B Synthesis of borate derivatives and uses thereof 梅琳塔治疗公司 2024-05-10 — — CN 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
CN-114085243-B Pyrrolo [1,2-f ] [1,2,4] triazines useful for the treatment of respiratory syncytial virus infection 吉利德科学公司 2024-04-26 — — CN disclosed
EP-4356736-A2 SYNTHESIS OF BORONATE SALTS Melinta Therapeutics, Inc. (US) 2024-04-24 — — EP disclosed
EP-3604316-B1 SYNTHESIS OF BORONATE SALTS MELINTA THERAPEUTICS INC (US) 2023-12-06 — — EP disclosed
US-20230210808-A1 4-(PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS CYMABAY THERAPEUTICS, INC. 2023-07-06 — — US disclosed
WO-1996026933-A1 NOVEL SELECTIVE INHIBITORS OF VIRAL OR BACTERIAL NEURAMINIDASES GILEAD SCIENCES, INC. (US) 1996-09-06 — — WO disclosed
WO-1996023801-A2 NOVEL COMPOUNDS AND METHODS FOR MAKING AND USING SAME GILEAD SCIENCES, INC. (US) 1996-08-08 — — WO disclosed
WO-1996014314-A2 THIEPANE COMPOUNDS INHIBITING AND DETECTING HIV PROTEASE GILEAD SCIENCES, INC. (US) 1996-05-17 — — WO disclosed
EP-0587088-B1 Derivatives of substituted cyclohexane, their process of preparation and their application with the treatment of diseases HOECHST AG (DE) 1996-05-08 — — EP disclosed
US-5463062-A Inhibitors of glucose-6-phosphatase system HOECHST AKTIENGESELLSCHAFT (DE) 1995-10-31 — — US disclosed
EP-0672660-A2 Substituted cyclohexanol-esters, their use to treat illnesses and pharmaceutical preparations HOECHST AKTIENGESELLSCHAFT (DE) 1995-09-20 — — EP disclosed
EP-0671392-A1 Substituted propane derivatives, process for their preparation and use of the compounds for the treatment of illnesses HOECHST AKTIENGESELLSCHAFT (DE) 1995-09-13 — — EP disclosed
EP-0587088-A1 Derivatives of substituted cyclohexane, their process of preparation and their application with the treatment of diseases HOECHST AKTIENGESELLSCHAFT (DE) 1994-03-16 — — 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 (2 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-20230210808-A1 4-(PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS PPARA, PPARG, PPARD GABRA1 899/4885GABRB2 460/4885RXRA 39/4885
US-11999757-B2 Synthesis of boronate ester derivatives and uses thereof ADH5, ADH1A, ADH7 GABRA1 663/4885GABRB2 352/4885RXRA 2170/4885

“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.