Sugi Predict

Sugi Predict / Compounds / SCHEMBL105388

SCHEMBL105388

SCHEMBL105388

CC(C)C[C@H]1CC[C@H](N)CC1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CPB2 Q96IY4 1/20 0.33
▸ SMYD3 Q9H7B4 1/20 0.32
▸ MMP1 P03956 1/20 0.31
▸ MMP8 P22894 1/20 0.31
▸ OPRK1 P41145 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
SCHEMBL102088 1.00 CPB2 (0.33) CPB2SMYD3MMP1MMP8OPRK1
SCHEMBL8352329 1.00 CPB2 (0.33) CPB2SMYD3MMP1MMP8OPRK1
SCHEMBL21775731 0.86 OPRK1 (0.34) OPRK1
SCHEMBL2461 0.86 — —
SCHEMBL23735690 0.85 MMP8 (0.36) MMP1MMP8
SCHEMBL12578172 0.85 CPB1 (0.36) CPB2OPRK1
SCHEMBL13717676 0.80 CPB2 (0.35) CPB2SMYD3
SCHEMBL21510164 0.80 CPB2 (0.32) CPB2SMYD3
SCHEMBL23707830 0.80 CPB2 (0.32) CPB2SMYD3
SCHEMBL18988158 0.80 CPB2 (0.35) CPB2SMYD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295201-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2023-09-21 — — US disclosed
US-20230295201-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2023-09-21 — — US disclosed
US-11691989-B2 Macrocyclic indoles as Mcl-1 inhibitors ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2023-07-04 — — US disclosed
US-20210236474-A1 IMIDAZO[4,5-C]PYRIDINE COMPOUNDS AS LSD-1 INHIBITORS UNIV MICHIGAN REGENTS (US) 2021-08-05 — — US disclosed
WO-2020151738-A1 MACROCYCLIC FUSED PYRRAZOLES AS MCL-1 INHIBITORS ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2020-07-30 — — WO disclosed
US-10577363-B2 Substituted piperidine compounds Epizyme, Inc. (US) 2020-03-03 — — US disclosed
US-20190322660-A1 SMYD INHIBITORS Epizyme, Inc. 2019-10-24 — — US disclosed
US-10301253-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-05-28 — — US disclosed
US-10266526-B2 Substituted 1,2,3-triazoles as SMYD inhibitors for treating cancer Epizyme, Inc. (US) 2019-04-23 — — US disclosed
WO-2018102419-A1 COMPOUNDS CONTAINING A SULFONIC GROUP AS KAT INHIBITORS Epizyme, Inc. (US) 2018-06-07 — — WO disclosed
US-20170362191-A1 Substituted Cyclohexylamine Compounds Epizyme, Inc. (US) 2017-12-21 — — US disclosed
US-20170362217-A1 Substituted Piperidine Compounds Epizyme, Inc. (US) 2017-12-21 — — US disclosed
US-20170362191-A1 Substituted Cyclohexylamine Compounds Epizyme, Inc. (US) 2017-12-21 — — US disclosed
US-20170355695-A1 SMYD Inhibitors Epizyme, Inc. (US) 2017-12-14 — — US disclosed
US-20170355695-A1 SMYD Inhibitors Epizyme, Inc. (US) 2017-12-14 — — US disclosed
US-20170253601-A1 Substituted Pyrrolidine Compounds Epizyme, Inc. (US) 2017-09-07 — — US disclosed
US-20170247326-A1 Substituted Pyrrolidine Carboxamide Compounds Epizyme, Inc. (US) 2017-08-31 — — US disclosed
US-20170190676-A1 Isoxazole Carboxamide Compounds Epizyme, Inc. (US) 2017-07-06 — — US disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 — — 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 (14 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-20230295201-A1 ANTIVIRAL COMPOUNDS MAVS, HAVCR2, ZC3HAV1 CPB2 1618/4885SMYD3 2431/4885MMP1 4465/4885
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION NR0B1, GRK7, NR5A2 CPB2 4492/4885SMYD3 3770/4885MMP1 3610/4885
US-10577363-B2 Substituted piperidine compounds SMYD3, SMYD2, SNRPD3 CPB2 4420/4885SMYD3 1/4885MMP1 4730/4885
US-20210236474-A1 IMIDAZO[4,5-C]PYRIDINE COMPOUNDS AS LSD-1 INHIBITORS KDM1A, KDM4A, KDM1B CPB2 4838/4885SMYD3 44/4885MMP1 3520/4885
US-20170362217-A1 Substituted Piperidine Compounds SMYD3, SMYD2, SNRPD3 CPB2 4420/4885SMYD3 1/4885MMP1 4730/4885
US-20170190676-A1 Isoxazole Carboxamide Compounds SMYD3, SMYD2, SNRPD3 CPB2 4243/4885SMYD3 1/4885MMP1 4819/4885
US-10266526-B2 Substituted 1,2,3-triazoles as SMYD inhibitors for treating cancer SMYD3, SMYD2, SNRPD3 CPB2 4469/4885SMYD3 1/4885MMP1 4821/4885
US-20170355695-A1 SMYD Inhibitors SMYD3, SMYD2, SMURF2 CPB2 3677/4885SMYD3 1/4885MMP1 4807/4885
US-20170247326-A1 Substituted Pyrrolidine Carboxamide Compounds SMYD3, SMYD2, SMURF2 CPB2 3087/4885SMYD3 1/4885MMP1 4877/4885
US-20170362191-A1 Substituted Cyclohexylamine Compounds SMYD3, SMYD2, SNRPD3 CPB2 4238/4885SMYD3 1/4885MMP1 4865/4885
US-20190322660-A1 SMYD INHIBITORS SMYD2, SMYD3, SMURF2 CPB2 3573/4885SMYD3 2/4885MMP1 4834/4885
US-20170253601-A1 Substituted Pyrrolidine Compounds SMYD2, SMYD3, SNRPD2 CPB2 3436/4885SMYD3 2/4885MMP1 4834/4885
US-11691989-B2 Macrocyclic indoles as Mcl-1 inhibitors MCL1, BCL2A1, BCL2L1 CPB2 4865/4885SMYD3 560/4885MMP1 4000/4885
US-10301253-B2 Therapeutic compounds and uses thereof KDM1B, HDAC1, DOT1L CPB2 4102/4885SMYD3 109/4885MMP1 1178/4885

“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.