SCHEMBL4401809

SCHEMBL4401809

CC(C)(c1ccccc1)C(N)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 15/20 0.50
MAPT P10636 2/20 0.50
KMT2A Q03164 1/20 0.50
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
ALDH1A1 P00352 1/20 0.45
PTGS1 P23219 1/20 0.45
CYP2C19 P33261 1/20 0.44
HIF1A Q16665 1/20 0.44
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42

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
SCHEMBL4401812 1.00 KIF11 (0.50) KIF11MAPTKMT2ACYP1A2CYP2D6
SCHEMBL27685329 1.00 KIF11 (0.50) KIF11MAPTKMT2ACYP1A2CYP2D6
Trifluoroacetic Acid SCHEMBL919041 0.91 KIF11 (0.44) KIF11MAPTKMT2ACYP1A2CYP2D6
SCHEMBL21086711 0.86 MAPT (0.48) KIF11MAPTKMT2ACYP1A2CYP2D6
SCHEMBL4399040 0.84 KIF11 (0.45) KIF11MAPTALDH1A1PTGS1
SCHEMBL4399038 0.84 KIF11 (0.45) KIF11MAPTALDH1A1PTGS1
SCHEMBL6910253 0.84 KIF11 (0.50) KIF11MAPTALDH1A1PTGS1
SCHEMBL5281006 0.83 MAPT (0.55) KIF11MAPTKMT2ACYP1A2CYP2D6
SCHEMBL23176910 0.82 KIF11 (0.45) KIF11MAPTALDH1A1PTGS1
SCHEMBL6670880 0.82 KIF11 (0.45) KIF11MAPTKMT2ACYP1A2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5658885-A OLIGOPEPTIDES; ANTICOAGULANTS; ENZYME INHIBITORS; THROMBIN THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-19 US claimed
US-20250162989-A1 USP30 INHIBITORS AND USES THEREOF VINCERE BIOSCIENCES, INC. 2025-05-22 US disclosed
US-20240209026-A1 A4B7 THIOETHER PEPTIDE DIMER ANTAGONISTS PROTAGONIST THERAPEUTICS, INC. (US) 2024-06-27 US disclosed
US-20240209026-A1 A4B7 THIOETHER PEPTIDE DIMER ANTAGONISTS PROTAGONIST THERAPEUTICS, INC. (US) 2024-06-27 US disclosed
US-12018093-B2 Hemiasterlin derivatives and antibody-drug conjugates including same Sumitomo Pharma Co., Ltd. (JP) 2024-06-25 US disclosed
CN-117836270-A USP30 inhibitors and uses thereof 文森雷生物科学股份有限公司 2024-04-05 CN disclosed
EP-4305021-A1 USP30 INHIBITORS AND USES THEREOF Vincere Biosciences, Inc. (US) 2024-01-17 EP disclosed
US-11840581-B2 α4β7 thioether peptide dimer antagonists PROTAGONIST THERAPEUTICS, INC. (US) 2023-12-12 US disclosed
US-11840581-B2 α4β7 thioether peptide dimer antagonists PROTAGONIST THERAPEUTICS, INC. (US) 2023-12-12 US disclosed
US-11795195-B2 Antibody-drug conjugates including hemiasterlin derivative Sumitomo Pharma Co., Ltd. (JP) 2023-10-24 US disclosed
EP-1252178-A1 ALPHA-KETOAMIDE INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE Bristol-Myers Squibb Pharma Company (US) 2002-10-30 EP disclosed
US-20020123468-A1 Alpha-ketoamide inhibitors of hepatitis C virus NS3 protease BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-09-05 US disclosed
US-20020065248-A1 Inhibitors of hepatitis C virus NS3 protease BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-05-30 US disclosed
EP-1196436-A2 PEPTIDE BORONIC ACID INHIBITORS OF HEPATITIS C VIRUS PROTEASE Bristol-Myers Squibb Pharma Company (US) 2002-04-17 EP disclosed
WO-2001064678-A2 INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-09-07 WO disclosed
WO-2001040262-A1 ALPHA-KETOAMIDE INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-06-07 WO disclosed
EP-1092435-A1 REMEDIES FOR DIABETES KYOWA HAKKO KOGYO CO., LTD. (JP) 2001-04-18 EP disclosed
WO-2001002424-A2 PEPTIDE BORONIC ACID INHIBITORS OF HEPATITIS C VIRUS PROTEASE DU PONT PHARMACEUTICALS COMPANY (US) 2001-01-11 WO disclosed
EP-0575844-B1 Hydroxamic acid derivatives and pharmaceutical compositions thereof HOFFMANN LA ROCHE (CH) 1998-01-21 EP disclosed
US-5658885-A OLIGOPEPTIDES; ANTICOAGULANTS; ENZYME INHIBITORS; THROMBIN THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-19 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 (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-20020065248-A1 Inhibitors of hepatitis C virus NS3 protease TMPRSS15, CTRC, CPN1 KIF11 4542/4885MAPT 4425/4885KMT2A 3703/4885
US-11795195-B2 Antibody-drug conjugates including hemiasterlin derivative HSD3B2, HSD3B1, HSD11B2 KIF11 2486/4885MAPT 2094/4885KMT2A 2112/4885
US-11840581-B2 α4β7 thioether peptide dimer antagonists EPCAM, SELPLG, VCAM1 KIF11 3614/4885MAPT 2502/4885KMT2A 3166/4885
US-20250162989-A1 USP30 INHIBITORS AND USES THEREOF USP30, USP28, USP1 KIF11 2181/4885MAPT 2434/4885KMT2A 955/4885
US-20240209026-A1 A4B7 THIOETHER PEPTIDE DIMER ANTAGONISTS EPCAM, ANXA7, GRB7 KIF11 3278/4885MAPT 2503/4885KMT2A 4248/4885
US-12018093-B2 Hemiasterlin derivatives and antibody-drug conjugates including same FCGRT, QARS1, INHA KIF11 2982/4885MAPT 2830/4885KMT2A 496/4885
US-20020123468-A1 Alpha-ketoamide inhibitors of hepatitis C virus NS3 protease CES1, CYP51A1, SPINT2 KIF11 841/4885MAPT 3370/4885KMT2A 324/4885

“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.