SCHEMBL17827396

SCHEMBL17827396

CC(C)NCc1cccc(C(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.47
BACE1 P56817 4/20 0.45
CASR P41180 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
BCHE P06276 3/20 0.44
ALDH1A1 P00352 1/20 0.41
CYP2D6 P10635 1/20 0.41
CA2 P00918 1/20 0.41
PARP1 P09874 1/20 0.41
CTSD P07339 1/20 0.40
MAP4K4 O95819 1/20 0.40

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 0.86 SLC2A1 (0.57) SLC2A1CASRMEN1KMT2AALDH1A1
SCHEMBL5013630 0.82 KDM4E (0.48) BACE1BCHEALDH1A1CA2CTSD
SCHEMBL23365972 0.82 BACE1 (0.41) BACE1CASRMEN1KMT2ABCHE
SCHEMBL13181716 0.81 BCHE (0.44) BACE1CASRMEN1KMT2ABCHE
SCHEMBL12778461 0.79 TSHR (0.34) SLC2A1MEN1KMT2AALDH1A1CYP2D6
SCHEMBL12956598 0.79 BCHE (0.56) BACE1CASRMEN1KMT2ABCHE
SCHEMBL19523060 0.79 BCHE (0.49) BACE1BCHEALDH1A1CYP2D6CA2
SCHEMBL20631430 0.78 SLC2A1 (0.51) SLC2A1MEN1KMT2AALDH1A1CYP2D6
SCHEMBL14229981 0.78 SLC2A1 (0.51) SLC2A1CASRMEN1KMT2AALDH1A1
SCHEMBL11983546 0.78 ALDH1A1 (0.63) SLC2A1ALDH1A1CYP2D6CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-3086815-B1 SULFONAMIDE-CONTAINING LINKAGE SYSTEMS FOR DRUG CONJUGATES ZYMEWORKS INC (CA) 2022-02-09 EP disclosed
US-10329270-B2 Heteroaryl compounds as BTK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-06-25 US disclosed
US-10012650-B2 Assays for BTK inhibitors MERCK PATENT GMBH (DE) 2018-07-03 US disclosed
US-10012650-B2 Assays for BTK inhibitors MERCK PATENT GMBH (DE) 2018-07-03 US disclosed
US-9855269-B2 Aminoquinazoline and pyridopyrimidine derivatives GENENTECH, INC. (US) 2018-01-02 US disclosed
US-20170173026-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES GENENTECH, INC. (US) 2017-06-22 US disclosed
US-20170029490-A1 SULFONAMIDE-CONTAINING LINKAGE SYSTEMS FOR DRUG CONJUGATES ZYMEWORKS INC. (CA) 2017-02-02 US disclosed
US-20160264548-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-09-15 US disclosed
US-20160169894-A1 ASSAYS FOR BTK INHIBITORS MERCK PATENT GMBH (DE) 2016-06-16 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 (8 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 848/4885BACE1 3872/4885CASR 3384/4885
US-20160264548-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LCK SLC2A1 4869/4885BACE1 4385/4885CASR 3125/4885
US-20160169894-A1 ASSAYS FOR BTK INHIBITORS BTK, SYK, LYN SLC2A1 4872/4885BACE1 3594/4885CASR 2007/4885
US-20170173026-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES FLT4, FLT1, KDR SLC2A1 2360/4885BACE1 3929/4885CASR 4688/4885
US-10012650-B2 Assays for BTK inhibitors BTK, SYK, LYN SLC2A1 4872/4885BACE1 3594/4885CASR 2007/4885
US-11560422-B2 Sulfonamide-containing linkage systems for drug conjugates MPST, TPST2, SULT1A1 SLC2A1 848/4885BACE1 3872/4885CASR 3384/4885
US-10329270-B2 Heteroaryl compounds as BTK inhibitors and uses thereof BTK, SYK, LCK SLC2A1 4869/4885BACE1 4385/4885CASR 3125/4885
US-20170029490-A1 SULFONAMIDE-CONTAINING LINKAGE SYSTEMS FOR DRUG CONJUGATES MPST, TPST2, SULT1A1 SLC2A1 848/4885BACE1 3872/4885CASR 3384/4885

“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.