Sugi Predict

Sugi Predict / Compounds / SCHEMBL497601

SCHEMBL497601

SCHEMBL497601

CCCCN(C(C)=O)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.40
▸ CA1 P00915 2/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ MMP1 P03956 1/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ MMP3 P08254 1/20 0.38
▸ MMP8 P22894 1/20 0.38
▸ CES1 P23141 3/20 0.34
▸ CES2 O00748 3/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ MLYCD O95822 1/20 0.32
▸ ALDH2 P05091 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ FAAH O00519 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ AKR1B1 P15121 1/20 0.31

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
SCHEMBL497617 0.86 CA12 (0.36) CA12CA1CA9ALDH1A1CA2
SCHEMBL19912821 0.85 TSHR (0.41) CES2ALDH1A1ATM
SCHEMBL10830752 0.82 CA12 (0.40) CA12CA1CA9MMP1MMP2
SCHEMBL497600 0.80 CA12 (0.39) CA12CA1CA9MMP1MMP2
SCHEMBL13167554 0.80 LMNA (0.42) ALDH1A1
SCHEMBL15425536 0.80 — —
SCHEMBL19912819 0.78 ALDH1A1 (0.39) CES2ALDH1A1
SCHEMBL4615638 0.78 CA12 (0.36) CA12CA1CA9MMP1MMP2
SCHEMBL15427381 0.77 ALDH1A1 (0.31) CA12CA1CA9ALDH1A1ALDH2
SCHEMBL19912817 0.77 ALDH1A1 (0.36) ALDH1A1MAPK1

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-11076594-B2 Pyrazolone compound or salt thereof, preparation method therefor, herbicide composition and use thereof QINGDAO KINGAGROOT CHEMICAL COMPOUNDS CO., LTD. (CN) 2021-08-03 — — US disclosed
US-20180055054-A1 PYRAZOLONE COMPOUND OR SALT THEREOF, PREPARATION METHOD THEREFOR, HERBICIDE COMPOSITION AND USE THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUNDS CO., LTD. (CN) 2018-03-01 — — US disclosed
US-20180055054-A1 PYRAZOLONE COMPOUND OR SALT THEREOF, PREPARATION METHOD THEREFOR, HERBICIDE COMPOSITION AND USE THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUNDS CO., LTD. (CN) 2018-03-01 — — US disclosed
US-8933116-B2 Gamma secretase inhibitors MERCK SHARP & DOHME CORP. (US) 2015-01-13 — — US disclosed
US-20140018342-A1 GAMMA SECRETASE INHIBITORS MERCK SHARP & DOHME LLC 2014-01-16 — — US disclosed
EP-2157084-B1 5-PHENYL-3-PYRIDAZINONE DERIVATIVE KOWA CO (JP) 2013-05-22 — — EP disclosed
US-8106053-B2 5-phenyl-3-pyridazinone derivative KOWA COMPANY, LTD. 2012-01-31 — — US disclosed
US-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-12-30 — — US disclosed
US-20100324091-A1 Pyrazolone Derivative KOWA COMPANY, LTD. (JP) 2010-12-23 — — US disclosed
US-20100197698-A1 5-PHENYL-3-PYRIDAZINONE DERIVATIVE KOWA COMPANY, LTD. (JP) 2010-08-05 — — US disclosed
EP-2172458-A1 PYRAZOLONE DERIVATIVE Kowa Company, Ltd. (JP) 2010-04-07 — — EP disclosed
EP-2157084-A1 5-PHENYL-3-PYRIDAZINONE DERIVATIVE Kowa Company, Ltd. (JP) 2010-02-24 — — EP disclosed
US-20080051423-A1 NITROGEN HETEROCYCLE BIARYLS FOR OSTEOPOROSIS AND OTHER DISEASES PHARMACOPEIA, INC. (US) 2008-02-28 — — US disclosed
EP-0958292-B1 4-(3-HETEROCYCLYL-1-BENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES BASF AG (DE) 2007-01-03 — — EP disclosed
US-6165944-A 4-(3-heterocyclyl-1-benzoyl) pyrazoles and their use as herbicides BASF AKTIENGESELLSCHAFT (DE) 2000-12-26 — — US disclosed
EP-0777658-B1 SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS BASF AG (DE) 1999-12-15 — — EP disclosed
EP-0958292-A1 4-(3-HETEROCYCLYL-1-BENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1999-11-24 — — EP disclosed
US-5885934-A HERBICIDES OR FOR THE DESICCATION/DEFOLIATION OF PLANTS BASF AKTIENGESELLSCHAFT (DE) 1999-03-23 — — US disclosed
WO-1998031682-A1 4-(3-HETEROCYCLYL-1-BENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-07-23 — — WO disclosed
WO-1996005179-A1 SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS BASF AKTIENGESELLSCHAFT (DE) 1996-02-22 — — 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-20080051423-A1 NITROGEN HETEROCYCLE BIARYLS FOR OSTEOPOROSIS AND OTHER DISEASES EDNRA, EDNRB, ESRRB CA12 4530/4885CA1 4632/4885CA9 3984/4885
US-20100197698-A1 5-PHENYL-3-PYRIDAZINONE DERIVATIVE SERPINE1, MMP1, PLAT CA12 4603/4885CA1 2852/4885CA9 3447/4885
US-20100324091-A1 Pyrazolone Derivative SERPINE1, SERPINC1, TFPI CA12 4035/4885CA1 1836/4885CA9 2894/4885
US-20180055054-A1 PYRAZOLONE COMPOUND OR SALT THEREOF, PREPARATION METHOD THEREFOR, HERBICIDE COMPOSITION AND USE THEREOF THEM6, NOTUM, CYP4F11 CA12 2900/4885CA1 1142/4885CA9 3166/4885
US-20140018342-A1 GAMMA SECRETASE INHIBITORS BACE1, BACE2, PSEN1 CA12 3937/4885CA1 1087/4885CA9 3382/4885
US-11076594-B2 Pyrazolone compound or salt thereof, preparation method therefor, herbicide composition and use thereof THEM6, NOTUM, CYP4F11 CA12 2900/4885CA1 1142/4885CA9 3166/4885
US-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES DDT, ACHE, TPM3 CA12 2325/4885CA1 1474/4885CA9 3321/4885

“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.