SCHEMBL22388383

SCHEMBL22388383

CC(C)Cc1cccc(CNC(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 1/20 0.50
▸ SIGMAR1 Q99720 2/20 0.44
▸ PARP1 P09874 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ NMT1 P30419 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ MAP4K4 O95819 1/20 0.40
▸ GABRA1 P14867 1/20 0.39
▸ GABRB2 P47870 1/20 0.39
▸ PNMT P11086 1/20 0.39
▸ MEP1B Q16820 2/20 0.39
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ADRA2C P18825 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ ADRA1A P35348 1/20 0.38

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
SCHEMBL11794365 0.90 SLC2A1 (0.57) SLC2A1SIGMAR1PARP1ALDH1A1CYP2D6
SCHEMBL8539519 0.83 GABRA1 (0.50) SIGMAR1GABRA1GABRB2PNMTHTR2A
SCHEMBL20631430 0.82 SLC2A1 (0.51) SLC2A1SIGMAR1PARP1ALDH1A1CYP2D6
SCHEMBL14229981 0.82 SLC2A1 (0.51) SLC2A1SIGMAR1PARP1ALDH1A1CYP2D6
SCHEMBL7029432 0.81 SLC2A1 (0.50) SLC2A1SIGMAR1PARP1ALDH1A1CYP2D6
SCHEMBL8063337 0.81 SLC2A1 (0.50) SLC2A1SIGMAR1PARP1ALDH1A1CYP2D6
SCHEMBL14558107 0.80 FFAR1 (0.51) SLC2A1SIGMAR1PARP1MEN1KMT2A
SCHEMBL26031416 0.80 LMNA (0.42) SLC2A1SIGMAR1PARP1ALDH1A1CYP2D6
SCHEMBL16869918 0.79 SIGMAR1 (0.50) SIGMAR1ALDH1A1LMNAHTR2A
SCHEMBL27307605 0.79 SLC2A1 (0.49) SLC2A1SIGMAR1PARP1ALDH1A1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11827656-B2 Immunoproteasome inhibitors PRINCIPIA BIOPHARMA INC. (US) 2023-11-28 — — US disclosed
US-11827656-B2 Immunoproteasome inhibitors PRINCIPIA BIOPHARMA INC. (US) 2023-11-28 — — US disclosed
US-20230265173-A1 SULFONAMIDE-CONTAINING LINKAGE SYSTEMS FOR DRUG CONJUGATES ZYMEWORKS BC INC. (CA) 2023-08-24 — — US disclosed
US-20230265173-A1 SULFONAMIDE-CONTAINING LINKAGE SYSTEMS FOR DRUG CONJUGATES ZYMEWORKS BC INC. (CA) 2023-08-24 — — US disclosed
US-11560422-B2 Sulfonamide-containing linkage systems for drug conjugates ZYMEWORKS INC. 2023-01-24 — — US disclosed
US-20200277312-A1 IMMUNOPROTEASOME INHIBITORS PRINCIPIA BIOPHARMA INC. 2020-09-03 — — 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 (4 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-20230265173-A1 SULFONAMIDE-CONTAINING LINKAGE SYSTEMS FOR DRUG CONJUGATES MPST, TPST2, SULT1A1 SLC2A1 848/4885SIGMAR1 3431/4885PARP1 2357/4885
US-11827656-B2 Immunoproteasome inhibitors PSMC2, PSMB7, PSMB2 SLC2A1 4687/4885SIGMAR1 4723/4885PARP1 1865/4885
US-20200277312-A1 IMMUNOPROTEASOME INHIBITORS PSMC2, PSMB7, PSMB2 SLC2A1 4687/4885SIGMAR1 4723/4885PARP1 1865/4885
US-11560422-B2 Sulfonamide-containing linkage systems for drug conjugates MPST, TPST2, SULT1A1 SLC2A1 848/4885SIGMAR1 3431/4885PARP1 2357/4885

“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.

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