Sugi Predict

Sugi Predict / Compounds / SCHEMBL650603

SCHEMBL650603

SCHEMBL650603

CCCCCCCCCCCCCCCCCCOC(=O)O[C@H](c1ccc(S(C)(=O)=O)cc1)[C@@H](CF)NC(=O)C(Cl)Cl

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ TSHR P16473 1/20 0.47
▸ MAPT P10636 1/20 0.40
▸ PLA2G2C Q5R387 1/20 0.35
▸ TRPV1 Q8NER1 6/20 0.34
▸ HTT P42858 1/20 0.34
▸ CA12 O43570 3/20 0.33
▸ CA1 P00915 3/20 0.33
▸ CA2 P00918 3/20 0.33
▸ CA9 Q16790 3/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL651749 1.00 LMNA (0.56) LMNAMEN1CYP3A4KMT2ATSHR
SCHEMBL650645 1.00 LMNA (0.56) LMNAMEN1CYP3A4KMT2ATSHR
SCHEMBL651550 1.00 LMNA (0.56) LMNAMEN1CYP3A4KMT2ATSHR
SCHEMBL650646 1.00 LMNA (0.56) LMNAMEN1CYP3A4KMT2ATSHR
SCHEMBL651551 1.00 LMNA (0.56) LMNAMEN1CYP3A4KMT2ATSHR
SCHEMBL10124445 0.95 CYP3A4 (0.61) LMNAMEN1CYP3A4KMT2ATSHR
SCHEMBL648812 0.92 CYP3A4 (0.60) LMNAMEN1CYP3A4KMT2ATSHR
SCHEMBL652244 0.91 CYP3A4 (0.64) LMNAMEN1CYP3A4KMT2ATSHR
SCHEMBL648316 0.91 LMNA (0.54) LMNAMEN1CYP3A4KMT2ATSHR
SCHEMBL648315 0.91 LMNA (0.54) LMNAMEN1CYP3A4KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023246631-A1 PREPARATION METHOD FOR DIAZABICYCLO PEPTIDOMIMETIC DERIVATIVE AND USE THEREOF 中国药科大学 2023-12-28 — — WO claimed
CN-113698409-B Multipurpose diazabicyclo compound, preparation method and application in synthetic drugs 上海凌凯医药科技有限公司 2022-07-19 — — CN claimed
CN-114231288-A Silicon etching liquid composition, pattern forming method, array substrate manufacturing method, and array substrate 东友精细化工有限公司 2022-03-25 — — CN claimed
US-11208422-B2 Substituted bridged diazepane derivatives and use thereof as TASK-1 and TASK-3 inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-12-28 — — US claimed
CN-113698409-A Multipurpose diazabicyclo compound, preparation method and application in synthetic drugs 上海凌凯医药科技有限公司 2021-11-26 — — CN claimed
CN-112479827-A Method for efficiently preparing binaphthol through liquid ligand cocatalyst 中唯炼焦技术国家工程研究中心有限责任公司 2021-03-12 — — CN claimed
US-20200140461-A1 SUBSTITUTED BRIDGED DIAZEPANE DERIVATIVES AND USE THEREOF AS TASK-1 AND TASK-3 INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-05-07 — — US claimed
EP-3638676-A1 SUBSTITUTED BRIDGED DIAZEPANE DERIVATIVES AND USE THEREOF AS TASK-1 AND TASK-3 INHIBITORS Bayer Pharma Aktiengesellschaft (DE) 2020-04-22 — — EP claimed
WO-2018227427-A1 SUBSTITUTED BRIDGED DIAZEPANE DERIVATIVES AND USE THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2018-12-20 — — WO claimed
WO-2018228909-A1 SUBSTITUTED BRIDGED DIAZEPANE DERIVATIVES AND USE THEREOF AS TASK-1 AND TASK-3 INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-12-20 — — WO claimed
WO-2000076984-A2 NOVEL COMPOUNDS, THEIR USE AND PREPARATION BIOVITRUM AB (SE) 2000-12-21 — — WO claimed
EP-0755514-A4 COMPLEX COMBINATORIAL CHEMICAL LIBRARIES ENCODED WITH TAGS UNIV COLUMBIA (US) 1999-06-09 — — EP claimed
US-5872196-A CURING AGENT AND ACCELERATOR FOR EPOXY RESINS SHELL OIL COMPANY (US) 1999-02-16 — — US claimed
US-5721099-A Complex combinatorial chemical libraries encoded with tags TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 1998-02-24 — — US claimed
EP-0755514-A1 COMPLEX COMBINATORIAL CHEMICAL LIBRARIES ENCODED WITH TAGS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 1997-01-29 — — EP claimed
US-5565324-A FOR IDENTIFICATION OF NON-OLIGOMERIC COMPOUND, USING SOLID SUPPORT THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 1996-10-15 — — US claimed
WO-1995028640-A1 COMPLEX COMBINATORIAL CHEMICAL LIBRARIES ENCODED WITH TAGS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 1995-10-26 — — WO claimed
EP-0665897-A4 COMPLEX COMBINATORIAL CHEMICAL LIBRARIES ENCODED WITH TAGS. UNIV COLUMBIA (US) 1995-09-27 — — EP claimed
EP-0665897-A1 COMPLEX COMBINATORIAL CHEMICAL LIBRARIES ENCODED WITH TAGS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 1995-08-09 — — EP claimed
WO-1994008051-A1 COMPLEX COMBINATORIAL CHEMICAL LIBRARIES ENCODED WITH TAGS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 1994-04-14 — — WO claimed

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-11208422-B2 Substituted bridged diazepane derivatives and use thereof as TASK-1 and TASK-3 inhibitors BET1, HRH1, GRIN1 LMNA 3031/4885MEN1 2099/4885CYP3A4 738/4885
US-20200140461-A1 SUBSTITUTED BRIDGED DIAZEPANE DERIVATIVES AND USE THEREOF AS TASK-1 AND TASK-3 INHIBITORS GRIN1, BET1, HRH1 LMNA 2888/4885MEN1 2258/4885CYP3A4 804/4885

“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.