SCHEMBL76972

SCHEMBL76972

CC(C)(C)OC(=O)NC1(C=O)CCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
BTK Q06187 1/20 0.34
GAA P10253 2/20 0.33
CTSL P07711 1/20 0.33
P2RX7 Q99572 1/20 0.33
EPHX1 P07099 1/20 0.33
APLNR P35414 1/20 0.33
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL8284389 0.98 CTSK (0.36) CTSKMEN1MAPK1KMT2APSEN1
SCHEMBL571320 0.96 CTSK (0.36) CTSKMEN1MAPK1KMT2APSEN1
SCHEMBL571503 0.93 CTSK (0.38) CTSKMEN1MAPK1KMT2ABTK
SCHEMBL21505991 0.86 USP2 (0.33) CTSKMEN1MAPK1KMT2AGAA
SCHEMBL21505983 0.85 MEN1 (0.37) CTSKMEN1MAPK1KMT2APSEN1
SCHEMBL1666805 0.85 USP2 (0.37) CTSKMEN1MAPK1KMT2AGAA
SCHEMBL22079845 0.84 HCRTR2 (0.33) CTSKMEN1MAPK1KMT2AHCRTR2
SCHEMBL21119394 0.83 CTSK (0.33) CTSKMEN1MAPK1KMT2APSEN1
SCHEMBL21488424 0.83 BTK (0.32) CTSKMEN1MAPK1KMT2APSEN1
SCHEMBL23802952 0.82 CTSK (0.33) CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12612414-B2 Nitrile SUMO inhibitors and uses thereof CIT THERAPEUTICS, INC. (US) 2026-04-28 US disclosed
EP-4482583-B1 ZWITTERIONIC ANTIBACTERIAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2026-04-01 EP disclosed
US-20240360148-A1 NITRILE SUMO INHIBITORS AND USES THEREOF CIT THERAPEUTICS LLC 2024-10-31 US disclosed
EP-4373825-A1 NITRILE SUMO INHIBITORS AND USES THEREOF Suvalent Therapeutics, Inc. (US) 2024-05-29 EP disclosed
US-20230210847-A1 Substituted Alkynylene Compounds As Anticancer Agents AURIGENE ONCOLOGY LTD (IN) 2023-07-06 US disclosed
US-11633394-B2 Substituted alkynylene compounds as anticancer agents AURIGENE ONCOLOGY LIMITED (IN) 2023-04-25 US disclosed
WO-2023004376-A1 NITRILE SUMO INHIBITORS AND USES THEREOF Suvalent Therapeutics, Inc. (US) 2023-01-26 WO disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-10813939-B2 Bromodomain inhibitor as adjuvant in cancer immunotherapy H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2020-10-27 US disclosed
US-10676484-B2 Compositions and methods for treating leukemia DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-06-09 US disclosed
WO-2006129120-A9 BENZOTRIAZEPINONE DERIVATIVES JAMES BLACK FOUNDATION (GB) 2007-03-22 WO disclosed
US-20070021484-A1 Substituted N-cinnamyl benzamides CHEMOCENTRYX, INC. (US) 2007-01-25 US disclosed
WO-2007002842-A2 SUBSTITUTED N-CINNAMYL BENZAMIDES CHEMOCENTRYX, INC. (US) 2007-01-04 WO disclosed
WO-2006129120-A2 BENZOTRIAZEPINONE DERIVATIVES JAMES BLACK FOUNDATION (GB) 2006-12-07 WO disclosed
EP-1677599-A1 HYDROXY PYRIDOPYRROLOPYRAZINE DIONE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2006-07-12 EP disclosed
US-20050282882-A1 Diamines as modulators of chemokine receptor activity CARTER PERCY 2005-12-22 US disclosed
US-6974836-B2 Diamines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-12-13 US disclosed
WO-2005041664-A1 HYDROXY PYRIDOPYRROLOPYRAZINE DIONE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-05-12 WO disclosed
US-20030125389-A1 Beta-amino acid derivatives useful for the treatment of bacterial infections VERSICOR, INC. 2003-07-03 US disclosed
US-20030060459-A1 Diamines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-03-27 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 (10 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-20030125389-A1 Beta-amino acid derivatives useful for the treatment of bacterial infections BCAT2, BCAT1, AADAT CTSK 1235/4885MEN1 1491/4885MAPK1 2083/4885
US-20230210847-A1 Substituted Alkynylene Compounds As Anticancer Agents MCL1, ROS1, MKI67 CTSK 1858/4885MEN1 1649/4885MAPK1 1690/4885
US-10813939-B2 Bromodomain inhibitor as adjuvant in cancer immunotherapy BRDT, BRD4, BRD1 CTSK 1575/4885MEN1 4108/4885MAPK1 891/4885
US-20050282882-A1 Diamines as modulators of chemokine receptor activity CCL11, CCR1, CCR2 CTSK 2173/4885MEN1 2396/4885MAPK1 242/4885
US-10676484-B2 Compositions and methods for treating leukemia MCL1, ABL1, FLT3 CTSK 728/4885MEN1 2413/4885MAPK1 3917/4885
US-11633394-B2 Substituted alkynylene compounds as anticancer agents MCL1, ROS1, MKI67 CTSK 1858/4885MEN1 1649/4885MAPK1 1690/4885
US-20240360148-A1 NITRILE SUMO INHIBITORS AND USES THEREOF SUMO1, SUMO3, SUMO2 CTSK 2620/4885MEN1 2517/4885MAPK1 2130/4885
US-12612414-B2 Nitrile SUMO inhibitors and uses thereof SUMO1, SUMO3, PSMB6 CTSK 2087/4885MEN1 3270/4885MAPK1 2568/4885
US-20030060459-A1 Diamines as modulators of chemokine receptor activity CCL11, CCR1, CCR2 CTSK 2219/4885MEN1 2257/4885MAPK1 200/4885
US-20070021484-A1 Substituted N-cinnamyl benzamides BRDT, BCCIP, NAT10 CTSK 1378/4885MEN1 1537/4885MAPK1 4852/4885

“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.