SCHEMBL21044754

SCHEMBL21044754

CC(C)c1cc(C(C)C)c(-c2ccc(C3CCCCC3)c(C3CCCCC3)c2P(=O)=O)c(C(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.43

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
SCHEMBL161475 0.81 ROCK2 (0.43) ROCK2
SCHEMBL1013646 0.81 ROCK2 (0.47) ROCK2
SCHEMBL29470914 0.81 ROCK2 (0.47) ROCK2
SCHEMBL28005452 0.79 ROCK2 (0.39) ROCK2
SCHEMBL19809959 0.76 ALOX5AP (0.35)
SCHEMBL28213747 0.75 ROCK2 (0.45) ROCK2
SCHEMBL28796938 0.74 ROCK2 (0.36) ROCK2
SCHEMBL26981251 0.73 ROCK2 (0.46) ROCK2
SCHEMBL14663496 0.72 ROCK2 (0.41) ROCK2
SCHEMBL21331820 0.72 ROCK2 (0.64) ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024067649-A1 DIAMINE COMPOUND, POLYIMIDE ACID, POLYIMIDE, AND PREPARATION METHOD THEREFOR AND USE THEREOF 比亚迪股份有限公司 2024-04-04 WO claimed
WO-2024067649-A1 DIAMINE COMPOUND, POLYIMIDE ACID, POLYIMIDE, AND PREPARATION METHOD THEREFOR AND USE THEREOF 比亚迪股份有限公司 2024-04-04 WO disclosed
WO-2024002328-A1 NITROGEN-CONTAINING COMPOUND AND USE THEREOF 勤浩医药(苏州)有限公司 2024-01-04 WO disclosed
US-20230406865-A1 CRYSTAL FORM OF FREE BASE OF INHIBITOR CONTAINING BICYCLIC RING DERIVATIVE AND PREPARATION METHOD AND APPLICATION OF CRYSTAL FORM JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-12-21 US disclosed
EP-4245757-A1 CRYSTAL FORM OF FREE BASE OF INHIBITOR CONTAINING BICYCLIC RING DERIVATIVE AND PREPARATION METHOD AND APPLICATION OF CRYSTAL FORM Shanghai Hansoh Biomedical Co., Ltd. (CN) 2023-09-20 EP disclosed
US-11192886-B2 S1P1 agonist and application thereof MEDSHINE DISCOVERY INC. (CN) 2021-12-07 US disclosed
US-11180501-B2 Crystal form of β-lactamase inhibitor and preparation method therefor QILU PHARMACEUTICAL CO., LTD. (CN) 2021-11-23 US disclosed
US-11078194-B2 Salt form and crystal form serving as FGFR and VEGFR inhibitor compounds, and preparation method therefor Harbin Zhenbao Pharmaceutical Co., Ltd. (CN) 2021-08-03 US disclosed
EP-3492465-B1 S1P1 AGONIST AND APPLICATION THEREOF SHIJIAZHUANG SAGACITY NEW DRUG DEV CO LTD (CN) 2021-03-24 EP disclosed
US-20200385385-A1 CRYSTAL FORM OF ß-LACTAMASE INHIBITOR AND PREPARATION METHOD THEREFOR QILU PHARMACEUTICAL CO., LTD. (CN) 2020-12-10 US disclosed
US-20200361913-A1 SALT FORM AND CRYSTAL FORM SERVING AS FGFR AND VEGFR INHIBITOR COMPOUNDS, AND PREPARATION METHOD THEREFOR Harbin Zhenbao Pharmaceutical Co., Ltd. (CN) 2020-11-19 US disclosed
EP-3722282-A1 SALT FORM AND CRYSTAL FORM SERVING AS FGFR AND VEGFR INHIBITOR COMPOUNDS, AND PREPARATION METHOD THEREFOR Harbin Zhenbao Pharmaceutical Co., Ltd. (CN) 2020-10-14 EP disclosed
EP-3719020-A1 CRYSTAL FORM OF ß-LACTAMASE INHIBITOR AND PREPARATION METHOD THEREFOR Qilu Pharmaceutical Co., Ltd (CN) 2020-10-07 EP disclosed
EP-3492465-A1 S1P1 AGONIST AND APPLICATION THEREOF Shijiazhuang Sagacity New Drug Development Co., Ltd. (CN) 2019-06-05 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 (6 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-11192886-B2 S1P1 agonist and application thereof S1PR1, S1PR2, S1PR3 ROCK2 828/4885
US-11180501-B2 Crystal form of β-lactamase inhibitor and preparation method therefor NOTUM, MRPL21, BPHL ROCK2 2421/4885
US-20200385385-A1 CRYSTAL FORM OF ß-LACTAMASE INHIBITOR AND PREPARATION METHOD THEREFOR NOTUM, BPHL, DCXR ROCK2 2519/4885
US-11078194-B2 Salt form and crystal form serving as FGFR and VEGFR inhibitor compounds, and preparation method therefor FGFR1, FLT1, FGFR4 ROCK2 193/4885
US-20230406865-A1 CRYSTAL FORM OF FREE BASE OF INHIBITOR CONTAINING BICYCLIC RING DERIVATIVE AND PREPARATION METHOD AND APPLICATION OF CRYSTAL FORM RET, BRAF, PYGL ROCK2 248/4885
US-20200361913-A1 SALT FORM AND CRYSTAL FORM SERVING AS FGFR AND VEGFR INHIBITOR COMPOUNDS, AND PREPARATION METHOD THEREFOR FGFR1, FLT1, FGFR4 ROCK2 193/4885

“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.