Sugi Predict

Sugi Predict / Compounds / SCHEMBL12848879

SCHEMBL12848879

SCHEMBL12848879

Cc1ncc(C(C)C)cc1C(C)C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.39
▸ GABRB2 P47870 1/20 0.39
▸ FABP4 P15090 3/20 0.38
▸ FABP3 P05413 2/20 0.38
▸ FABP5 Q01469 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 2/20 0.31
▸ TRPA1 O75762 2/20 0.30
▸ PTGS1 P23219 1/20 0.30
▸ CACNA1C Q13936 1/20 0.30
▸ CHRM1 P11229 1/20 0.30
▸ SLC6A2 P23975 1/20 0.30
▸ ADRA1A P35348 1/20 0.30
▸ HTR2B P41595 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 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
SCHEMBL12292824 0.82 ALDH1A1 (0.33) ALDH1A1
SCHEMBL2738314 0.79 CCR1 (0.38) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL12144343 0.79 CYP2A6 (0.37) LMNATRPA1PTGS1CACNA1CADRA1A
SCHEMBL12796020 0.77 GABRA1 (0.39) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL26844217 0.77 — —
SCHEMBL23766535 0.76 LMNA (0.30) LMNA
SCHEMBL25053870 0.76 — —
SCHEMBL12913219 0.76 VRK1 (0.35) LMNA
SCHEMBL24807960 0.76 — —
SCHEMBL22679339 0.76 CA1 (0.38) GABRA1GABRB2LMNATRPA1PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373969-A1 MK2 INHIBITORS AND USES THEREOF XINTHERA, INC. 2023-11-23 — — US disclosed
US-20230265076-A1 MK2 INHIBITORS AND USES THEREOF XINTHERA, INC. 2023-08-24 — — US disclosed
US-20230219927-A1 AKT3 MODULATORS Georgiamune Inc. 2023-07-13 — — US disclosed
US-20230219927-A1 AKT3 MODULATORS Georgiamune Inc. 2023-07-13 — — US disclosed
US-11680056-B2 MK2 inhibitors and uses thereof XINTHERA, INC. (US) 2023-06-20 — — US disclosed
US-11680056-B2 MK2 inhibitors and uses thereof XINTHERA, INC. (US) 2023-06-20 — — US disclosed
US-20220402892-A1 MK2 INHIBITORS AND USES THEREOF XINTHERA, INC. 2022-12-22 — — US disclosed
US-10889593-B2 Compounds targeting proteins, compositions, methods, and uses thereof BIOTHERYX, INC. (US) 2021-01-12 — — US disclosed
US-20190322683-A1 COMPOUNDS TARGETING PROTEINS, COMPOSITIONS, METHODS, AND USES THEREOF BIOTHERYX, INC. 2019-10-24 — — US disclosed
US-10336771-B2 Compounds targeting proteins, compositions, methods, and uses thereof BIOTHERYX, INC. (US) 2019-07-02 — — US disclosed
WO-2018118947-A1 THIENOPYRROLE DERIVATIVES FOR USE IN TARGETING PROTEINS, COMPOSITIONS, METHODS, AND USES THEREOF BIOTHERYX, INC. (US) 2018-06-28 — — WO disclosed
US-20180170948-A1 COMPOUNDS TARGETING PROTEINS, COMPOSITIONS, METHODS, AND USES THEREOF Bio TheryX, Inc. 2018-06-21 — — US disclosed
US-9738653-B2 Fused furans for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-22 — — US disclosed
US-20160024103-A1 FUSED FURANS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY 2016-01-28 — — US disclosed
US-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2011-03-03 — — 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-20230373969-A1 MK2 INHIBITORS AND USES THEREOF MKNK2, ENPP2, MAPKAPK2 GABRA1 4562/4885GABRB2 3648/4885FABP4 1501/4885
US-20180170948-A1 COMPOUNDS TARGETING PROTEINS, COMPOSITIONS, METHODS, AND USES THEREOF CKS1B, IKZF3, EPAS1 GABRA1 2064/4885GABRB2 3462/4885FABP4 631/4885
US-11680056-B2 MK2 inhibitors and uses thereof MKNK2, ENPP2, MAPKAPK2 GABRA1 4562/4885GABRB2 3648/4885FABP4 1501/4885
US-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA GABRA1 3364/4885GABRB2 2245/4885FABP4 1683/4885
US-20230265076-A1 MK2 INHIBITORS AND USES THEREOF MKNK2, ENPP2, MAPKAPK2 GABRA1 4562/4885GABRB2 3648/4885FABP4 1501/4885
US-10336771-B2 Compounds targeting proteins, compositions, methods, and uses thereof CKS1B, IKZF3, EPAS1 GABRA1 2064/4885GABRB2 3462/4885FABP4 631/4885
US-20220402892-A1 MK2 INHIBITORS AND USES THEREOF MKNK2, ENPP2, MAPKAPK2 GABRA1 4432/4885GABRB2 3468/4885FABP4 1761/4885
US-20160024103-A1 FUSED FURANS FOR THE TREATMENT OF HEPATITIS C HAVCR2, HCCS, GOT1 GABRA1 3926/4885GABRB2 3257/4885FABP4 2397/4885
US-10889593-B2 Compounds targeting proteins, compositions, methods, and uses thereof CKS1B, IKZF3, EPAS1 GABRA1 2064/4885GABRB2 3462/4885FABP4 631/4885
US-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES TSLP, NFATC1, IL5 GABRA1 1550/4885GABRB2 1380/4885FABP4 1293/4885
US-20190322683-A1 COMPOUNDS TARGETING PROTEINS, COMPOSITIONS, METHODS, AND USES THEREOF CKS1B, IKZF3, EPAS1 GABRA1 2064/4885GABRB2 3462/4885FABP4 631/4885

“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.