Sugi Predict

Sugi Predict / Compounds / SCHEMBL9945876

SCHEMBL9945876

SCHEMBL9945876

Cc1cc(C)c(C(C)C)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RAPGEF4 Q8WZA2 7/20 0.38
▸ BCL2 P10415 1/20 0.33
▸ BCL2L1 Q07817 1/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ BCL2L2 Q92843 1/20 0.33
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ MMP1 P03956 1/20 0.30
▸ MMP2 P08253 1/20 0.30
▸ MMP9 P14780 1/20 0.30
▸ MMP8 P22894 1/20 0.30
▸ MMP13 P45452 1/20 0.30
▸ NOS3 P29474 1/20 0.30
▸ NOS1 P29475 1/20 0.30
▸ NOS2 P35228 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
SCHEMBL8077990 0.87 SELL (0.33) RAPGEF4BCL2BCL2L1MCL1BCL2L2
SCHEMBL5163137 0.82 RAPGEF4 (0.41) RAPGEF4BCL2BCL2L1MCL1BCL2L2
SCHEMBL12160697 0.81 RAPGEF4 (0.38) RAPGEF4BCL2BCL2L1MCL1BCL2L2
SCHEMBL13377485 0.79 TRPA1 (0.34) CA1CA2
SCHEMBL21142373 0.79 EIF4A3 (0.36) BCL2BCL2L1MCL1BCL2L2
SCHEMBL18882778 0.78 BCL2 (0.34) BCL2BCL2L1MCL1BCL2L2
SCHEMBL23206105 0.77 ALDH1A1 (0.35) BCL2BCL2L1MCL1BCL2L2
SCHEMBL21756930 0.77 GABRA1 (0.35) BCL2BCL2L1MCL1BCL2L2
SCHEMBL24248982 0.77 SELL (0.48) BCL2BCL2L1MCL1BCL2L2
SCHEMBL19121891 0.77 GABRA1 (0.35) RAPGEF4BCL2BCL2L1MCL1BCL2L2

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230339964-A1 HETEROCYCLIC COMPOUNDS AS BET INHIBITORS NUVATION BIO INC (US) 2023-10-26 — — US disclosed
US-20230339964-A1 HETEROCYCLIC COMPOUNDS AS BET INHIBITORS NUVATION BIO INC (US) 2023-10-26 — — US disclosed
US-20230174545-A1 HETEROCYCLIC COMPOUNDS AS BET INHIBITORS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2023-06-08 — — US disclosed
US-11584756-B2 Heterocyclic compounds as BET inhibitors NUVATION BIO INC. (US) 2023-02-21 — — US disclosed
EP-3642198-B1 SMALL MOLECULE MODULATORS OF HUMAN STING CURADEV PHARMA LTD (GB) 2022-03-16 — — EP disclosed
US-11066434-B2 Metal complexes comprising aniline type ligands UMICORE AG & CO. KG 2021-07-20 — — US disclosed
WO-2021003310-A1 HETEROCYCLIC COMPOUNDS AS BET INHIBITORS NUVATION BIO INC. (US) 2021-01-07 — — WO disclosed
US-20210002293-A1 HETEROCYCLIC COMPOUNDS AS BET INHIBITORS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2021-01-07 — — US disclosed
US-20200239504-A1 METAL COMPLEXES COMPRISING ANILINE TYPE LIGANDS UMICORE AG & CO. KG (DE) 2020-07-30 — — US disclosed
US-20180194780-A1 BRIDGED BICYCLIC KALLIKREIN INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. 2018-07-12 — — US disclosed
US-9815853-B2 Bridged bicyclic kallikrein inhibitors GLOBAL BLOOD THERAPEUTICS, INC. (US) 2017-11-14 — — US disclosed
US-20160362427-A1 BRIDGED BICYCLIC KALLIKREIN INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. 2016-12-15 — — US disclosed
US-9040519-B2 Fused tetracyclic pyrido [4,3-B] indole and pyrido [3,4-B] indole derivatives and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-05-26 — — US disclosed
US-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 — — US disclosed
US-20090295281-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-12-03 — — US disclosed
US-20090145483-A1 Novel electroluminescent compounds and organic electroluminescent device suing the same GRACEL DISPLAY INC. (KR) 2009-06-11 — — US 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 (11 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-20160362427-A1 BRIDGED BICYCLIC KALLIKREIN INHIBITORS KLKB1, KLK1, KLK2 RAPGEF4 4073/4885BCL2 3965/4885BCL2L1 3652/4885
US-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 RAPGEF4 260/4885BCL2 1350/4885BCL2L1 1389/4885
US-11584756-B2 Heterocyclic compounds as BET inhibitors BET1, BRD4, BRD3 RAPGEF4 2059/4885BCL2 971/4885BCL2L1 668/4885
US-20090145483-A1 Novel electroluminescent compounds and organic electroluminescent device suing the same LEF1, ODC1, AOC2 RAPGEF4 3243/4885BCL2 4117/4885BCL2L1 996/4885
US-20180194780-A1 BRIDGED BICYCLIC KALLIKREIN INHIBITORS KLKB1, KLK1, KLK2 RAPGEF4 4073/4885BCL2 3965/4885BCL2L1 3652/4885
US-20230174545-A1 HETEROCYCLIC COMPOUNDS AS BET INHIBITORS BET1, BRD4, BRD3 RAPGEF4 2059/4885BCL2 971/4885BCL2L1 668/4885
US-20230339964-A1 HETEROCYCLIC COMPOUNDS AS BET INHIBITORS BET1, BRD4, BRD3 RAPGEF4 2059/4885BCL2 971/4885BCL2L1 668/4885
US-20210002293-A1 HETEROCYCLIC COMPOUNDS AS BET INHIBITORS BET1, BRD4, BRD3 RAPGEF4 2059/4885BCL2 971/4885BCL2L1 668/4885
US-20090295281-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same AOX1, LEF1, ODC1 RAPGEF4 2980/4885BCL2 4117/4885BCL2L1 841/4885
US-20200239504-A1 METAL COMPLEXES COMPRISING ANILINE TYPE LIGANDS SQLE, SOAT1, SOAT2 RAPGEF4 2536/4885BCL2 4238/4885BCL2L1 3546/4885
US-11066434-B2 Metal complexes comprising aniline type ligands SQLE, SOAT1, SOAT2 RAPGEF4 2536/4885BCL2 4238/4885BCL2L1 3546/4885

“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.