SCHEMBL2596725

SCHEMBL2596725

C=CC[C@H](C)OS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.40
DHODH Q02127 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TLR9 Q9NR96 1/20 0.39
CYP24A1 Q07973 1/20 0.39
GAA P10253 2/20 0.38
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
GBA1 P04062 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
G6PD P11413 1/20 0.37
CA2 P00918 3/20 0.36

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
SCHEMBL621605 1.00 C5AR1 (0.40) C5AR1DHODHNPSR1TLR9CYP24A1
SCHEMBL578874 1.00 C5AR1 (0.40) C5AR1DHODHNPSR1TLR9CYP24A1
SCHEMBL3744998 0.84 C5AR1 (0.38) C5AR1DHODHNPSR1TLR9GAA
SCHEMBL27358566 0.83 C5AR1 (0.39) C5AR1DHODHNPSR1TLR9CYP24A1
SCHEMBL15668772 0.82 C5AR1 (0.37) C5AR1DHODHNPSR1TLR9CYP24A1
SCHEMBL32668915 0.82 CA2 (0.40) C5AR1DHODHNPSR1TLR9CYP24A1
SCHEMBL15668771 0.82 C5AR1 (0.37) C5AR1DHODHNPSR1TLR9CYP24A1
SCHEMBL32668708 0.82 CA2 (0.40) C5AR1DHODHNPSR1TLR9CYP24A1
SCHEMBL17542475 0.81 C5AR1 (0.38) C5AR1DHODHNPSR1TLR9CYP24A1
SCHEMBL10932836 0.81 GBA1 (0.46) TLR9CYP24A1GAAALDH1A1GBA1

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12024529-B2 Compounds that inhibit MCL-1 protein AMGEN INC. (US) 2024-07-02 US disclosed
US-20230271981-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC. (US) 2023-08-31 US disclosed
US-11685747-B2 Compounds that inhibit MCL-1 protein AMGEN INC. (US) 2023-06-27 US disclosed
EP-3601297-B9 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC (US) 2023-05-24 EP disclosed
EP-3601297-B1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC (US) 2022-10-19 EP disclosed
US-11224601-B1 Compounds that inhibits MCL-1 protein AMGEN INC. (US) 2022-01-18 US disclosed
US-11001598-B2 Compounds that inhibit Mcl-1 protein AMGEN INC. (US) 2021-05-11 US disclosed
US-20210040120-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC. (US) 2021-02-11 US disclosed
US-10836779-B2 Compounds that inhibit MCL-1 protein AMGEN INC. (US) 2020-11-17 US disclosed
US-10821115-B2 Compounds that inhibit Mcl-1 protein AMGEN INC. (US) 2020-11-03 US disclosed
EP-2253616-A1 Process for the preparation of compounds capable of activating cholinergic receptors Targacept, Inc. (US) 2010-11-24 EP disclosed
US-20100121061-A1 COMPOUNDS CAPABLE OF ACTIVATING CHOLINERGIC RECEPTORS TARGACEPT, INC. (US) 2010-05-13 US disclosed
US-20100121061-A1 COMPOUNDS CAPABLE OF ACTIVATING CHOLINERGIC RECEPTORS TARGACEPT, INC. (US) 2010-05-13 US disclosed
US-20060293289-A1 Compounds Capable of Activating Cholinergic Receptors CALDWELL WILLIAM S 2006-12-28 US disclosed
US-7045538-B2 Compounds capable of activating cholinergic receptors TARGACEPT, INC. (US) 2006-05-16 US disclosed
US-6979695-B2 Compounds capable of activating cholinergic receptors TARGACEPT, INC. (US) 2005-12-27 US disclosed
EP-1556352-A1 COMPOUNDS CAPABLE OF ACTIVATING CHOLINERGIC RECEPTORS Targacept, Inc. (US) 2005-07-27 EP disclosed
US-20050148611-A1 Compounds capable of activating cholinergic receptors CALDWELL WILLIAM S (US) 2005-07-07 US disclosed
WO-2004031151-A1 COMPOUNDS CAPABLE OF ACTIVATING CHOLINERGIC RECEPTORS TARGACEPT, INC. (US) 2004-04-15 WO disclosed
US-20030125345-A1 Nicotinic compounds; treating central nervous system disorders TARGACEPT, INC. 2003-07-03 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 (12 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-10821115-B2 Compounds that inhibit Mcl-1 protein MCL1, BCL9, BCL2L1 C5AR1 3403/4885DHODH 3104/4885NPSR1 4654/4885
US-11001598-B2 Compounds that inhibit Mcl-1 protein MCL1, BCL2L1, BCL9 C5AR1 3754/4885DHODH 2817/4885NPSR1 4714/4885
US-20050148611-A1 Compounds capable of activating cholinergic receptors CHRM3, CHRM5, CHRM4 C5AR1 259/4885DHODH 1423/4885NPSR1 31/4885
US-20230271981-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN MCL1, BCL2L1, BCL9 C5AR1 3754/4885DHODH 2817/4885NPSR1 4714/4885
US-11685747-B2 Compounds that inhibit MCL-1 protein MCL1, BCL2L1, BCL9 C5AR1 3754/4885DHODH 2817/4885NPSR1 4714/4885
US-20030125345-A1 Nicotinic compounds; treating central nervous system disorders SLC6A2, CHRNA6, CHRNA10 C5AR1 1287/4885DHODH 892/4885NPSR1 40/4885
US-12024529-B2 Compounds that inhibit MCL-1 protein MCL1, BCL2L1, BCL9 C5AR1 3754/4885DHODH 2817/4885NPSR1 4714/4885
US-20100121061-A1 COMPOUNDS CAPABLE OF ACTIVATING CHOLINERGIC RECEPTORS CHRM3, CHRM5, CHRM4 C5AR1 259/4885DHODH 1423/4885NPSR1 31/4885
US-20210040120-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN MCL1, BCL2L1, BCL9 C5AR1 3754/4885DHODH 2817/4885NPSR1 4714/4885
US-20060293289-A1 Compounds Capable of Activating Cholinergic Receptors CHRM3, CHRM5, CHRM4 C5AR1 259/4885DHODH 1423/4885NPSR1 31/4885
US-10836779-B2 Compounds that inhibit MCL-1 protein MCL1, BCL9, BCL2L1 C5AR1 3674/4885DHODH 3319/4885NPSR1 4685/4885
US-11224601-B1 Compounds that inhibits MCL-1 protein MCL1, BCL9, BCL2L1 C5AR1 3453/4885DHODH 3117/4885NPSR1 4657/4885

“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.