SCHEMBL2945528

SCHEMBL2945528

COC(=O)c1ccc(C2=CCC3(CC2)OCCO3)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 1/20 0.41
TBK1 Q9UHD2 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
WNT3A P56704 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA12 O43570 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
CA7 P43166 1/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ALOX15 P16050 1/20 0.39
MGLL Q99685 1/20 0.39
KDM4E B2RXH2 2/20 0.39

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
SCHEMBL1780682 0.86 CA12 (0.43) IKBKETBK1NPC1RAB9ASMN1; SMN2
SCHEMBL1783049 0.85 TBK1 (0.43) IKBKETBK1NPC1RAB9ASMN1; SMN2
SCHEMBL743512 0.83 IKBKE (0.48) IKBKETBK1NPC1RAB9ACA1
SCHEMBL4480745 0.83 SPR (0.43) NPC1RAB9AKDM4ESUV39H2KMT2A
SCHEMBL27359300 0.82 BTK (0.40) IKBKETBK1CA1CA2CA12
SCHEMBL24774710 0.82 TBK1 (0.43) IKBKETBK1NPC1RAB9ASMN1; SMN2
SCHEMBL25705845 0.82 TBK1 (0.45) IKBKETBK1ALDH1A1HPGDPOLB
SCHEMBL15897172 0.81 TBK1 (0.39) IKBKETBK1ALDH1A1POLBSUV39H2
SCHEMBL14403246 0.81 TBK1 (0.43) IKBKETBK1SUV39H2
SCHEMBL2949539 0.79 NPC1 (0.43) NPC1RAB9ASMN1; SMN2CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260014146-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS INC (US) 2026-01-15 US disclosed
EP-4562014-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME Cedilla Therapeutics, Inc. (US) 2025-06-04 EP disclosed
WO-2024026479-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. (US) 2024-02-01 WO disclosed
WO-2024026479-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. (US) 2024-02-01 WO disclosed
US-20180327357-A1 NOVEL ORGANIC COMPOUND, NEAR-INFRARED FLUORESCENT CONSTANT MEDIUM CONTAINING SAME, AND METHOD FOR NANO-GRANULATING CONSTANT MEDIUM CHAMEDITECH CO., LTD. (KR) 2018-11-15 US disclosed
WO-2016111602-A2 NOVEL ORGANIC COMPOUND, NEAR-INFRARED FLUORESCENT CONSTANT MEDIUM CONTAINING SAME, AND METHOD FOR NANO-GRANULATING CONSTANT MEDIUM 차의과학대학교 산학협력단 2016-07-14 WO disclosed
US-7754886-B2 N-acylsulfonamide apoptosis promoters ABBOTT LABORATORIES (US) 2010-07-13 US disclosed
US-7659294-B2 2-(aryl)azacyclylmethyl carboxylates, sulfonates, phosphonates, phosphinates and heterocycles as S1P receptor agonists MERCK & CO., INC. (US) 2010-02-09 US disclosed
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2009-05-28 US disclosed
US-7504512-B2 N-acylsulfonamide apoptosis promoters ABBOTT LABORATORIES (US) 2009-03-17 US disclosed
US-20090042954-A1 2-(Aryl)Azacyclylmethyl Carboxylates, Sulfonates, Phosphonates, Phosphinates and Heterocycles as S1p Receptor Antagonists MERCK SHARP & DOHME CORP. 2009-02-12 US disclosed
EP-1804793-A2 2-(ARYL)AZACYCLYLMETHYL CARBOXYLATES, SULFONATES, PHOSPHONATES, PHOSPHINATES AND HETEROCYCLES AS S1P RECEPTOR AGONISTS Merck & Co., Inc. (US) 2007-07-11 EP disclosed
WO-2006047195-A2 2-(ARYL)AZACYCLYLMETHYL CARBOXYLATES, SULFONATES, PHOSPHONATES, PHOSPHINATES AND HETEROCYCLES AS S1P RECEPTOR AGONISTS MERCK & CO., INC. (US) 2006-05-04 WO disclosed
EP-1318978-B1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LAB (US) 2006-02-08 EP disclosed
US-20040192681-A1 N-acylsulfonamide apoptosis promoters ABBVIE INC. 2004-09-30 US disclosed
US-6720338-B2 BCL-X1 INHIBITING COMPOSITIONS AND METHODS OF PROMOTING APOPTOSIS IN A MAMMAL ABBOTT LABORATORIES 2004-04-13 US disclosed
EP-1318978-A2 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS Abbott Laboratories (US) 2003-06-18 EP disclosed
US-20020086887-A1 N-Acylsulfonamide apoptosis promoters ABBVIE INC. 2002-07-04 US disclosed
US-20020055631-A1 N-acylsulfonamide apoptosis promoters ABBOTT LABORATORIES 2002-05-09 US disclosed
WO-2002024636-A2 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2002-03-28 WO 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 (7 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-20020086887-A1 N-Acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 IKBKE 443/4885TBK1 4187/4885NPC1 2540/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 IKBKE 442/4885TBK1 4043/4885NPC1 2435/4885
US-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 IKBKE 443/4885TBK1 4187/4885NPC1 2540/4885
US-20180327357-A1 NOVEL ORGANIC COMPOUND, NEAR-INFRARED FLUORESCENT CONSTANT MEDIUM CONTAINING SAME, AND METHOD FOR NANO-GRANULATING CONSTANT MEDIUM GRN, NPM1, NEFM IKBKE 1715/4885TBK1 3163/4885NPC1 213/4885
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BCOR IKBKE 319/4885TBK1 3751/4885NPC1 3122/4885
US-20090042954-A1 2-(Aryl)Azacyclylmethyl Carboxylates, Sulfonates, Phosphonates, Phosphinates and Heterocycles as S1p Receptor Antagonists S1PR1, S1PR3, S1PR5 IKBKE 1422/4885TBK1 1655/4885NPC1 1816/4885
US-20260014146-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME CDK2, CDK20, CDK1 IKBKE 201/4885TBK1 3123/4885NPC1 2601/4885

“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.