SCHEMBL269999

SCHEMBL269999

CCCCCN(C=S)CC

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 3/20 0.40
MGLL Q99685 1/20 0.38
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
TSHR P16473 1/20 0.33
THRB P10828 1/20 0.33
ADH1C P00326 1/20 0.32
ADH1A P07327 1/20 0.32
ADH4 P08319 1/20 0.32
GBA1 P04062 1/20 0.30
PLA2G1B P04054 1/20 0.30
PLA2G2A P14555 1/20 0.30

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
SCHEMBL271652 0.98 DNM1 (0.44) DNM1MGLLCA12CA1CA2
SCHEMBL270678 0.92
SCHEMBL270639 0.90 DNM1 (0.43) DNM1MGLLCA12CA1CA2
SCHEMBL4602011 0.87 DNM1 (0.48) DNM1MGLLCA12CA1CA2
SCHEMBL269573 0.87 DNM1 (0.42) DNM1MGLLCA12CA1CA2
SCHEMBL271649 0.87 DNM1 (0.48) DNM1MGLLCA12CA1CA2
SCHEMBL270407 0.87 DNM1 (0.48) DNM1MGLLCA12CA1CA2
SCHEMBL270747 0.85 DNM1 (0.40) DNM1MGLLCA12CA1CA2
SCHEMBL271233 0.85 DNM1 (0.46) DNM1MGLLCA12CA1CA2
SCHEMBL269626 0.83 DNM1 (0.44) DNM1MGLLCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1697309-B1 BENZOYL-SUBSTITUTED PHENYLALANINE AMIDES BASF SE (DE) 2014-04-23 EP disclosed
EP-1888509-B1 BENZOYL-SUBSTITUTED SERINE AMIDES BASF SE (DE) 2013-05-15 EP disclosed
US-8133851-B2 Heteroaroyl-substituted serine amides BASF SE (DE) 2012-03-13 US disclosed
US-20110318470-A1 Method For Improving Plant Health BASF SE (DE) 2011-12-29 US disclosed
US-20110209253-A1 Method for Improving Plant Health BASF SE (DE) 2011-08-25 US disclosed
EP-2348841-A1 METHOD FOR IMPROVING PLANT HEALTH BASF SE (DE) 2011-08-03 EP disclosed
EP-2348849-A1 METHOD FOR IMPROVING PLANT HEALTH BASF SE (DE) 2011-08-03 EP disclosed
US-7879761-B2 Herbicides; 1-{Methylcarbamoyl-[(1-methyl-3-trifluoromethyl-1H-pyrazol-4-carbonyl)amino]methyl}-allyl acetate; acylation of keto compounds and reduction of the ketone, or the serine derivative is reacted with a heteroaryl acid and then with a secondary or tertiary amine BASF AKTIENGESELLSCHAFT (DE) 2011-02-01 US disclosed
EP-2121583-B1 HETEROARYL-SUBSTITUTED SERINE AMIDES BASF SE (DE) 2010-09-22 EP disclosed
US-7786046-B2 Benzoyl-substituted serineamides BASF AKTIENGESELLSCHAFT (DE) 2010-08-31 US disclosed
US-6326333-B1 HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2001-12-04 US disclosed
EP-1080089-A1 PYRAZOLYLDIOXOTHIOCHROMANOYL DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2001-03-07 EP disclosed
WO-2001000584-A2 PYRAZOLYL DERIVATIVES OF BICYCLIC BENZOIC ACIDS FOR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2001-01-04 WO disclosed
WO-2001000607-A1 CYCLOHEXENONE DERIVATIVES OF BICYCLIC BENZOIC ACIDS AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2001-01-04 WO disclosed
US-6165944-A 4-(3-heterocyclyl-1-benzoyl) pyrazoles and their use as herbicides BASF AKTIENGESELLSCHAFT (DE) 2000-12-26 US disclosed
WO-2000068228-A1 4-(3',4'-HETEROCYCLYL BENZOYL) PYRAZOLES AS HERBICIDAL AGENTS BASF AKTIENGESELLSCHAFT (DE) 2000-11-16 WO disclosed
WO-2000068210-A1 BENZOHETERO CYCLYLCYCLO HEXENONES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2000-11-16 WO disclosed
WO-1999059991-A1 PYRAZOLYLDIOXOTHIOCHROMANOYL DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1999-11-25 WO disclosed
EP-0958292-A1 4-(3-HETEROCYCLYL-1-BENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1999-11-24 EP disclosed
WO-1998031682-A1 4-(3-HETEROCYCLYL-1-BENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-07-23 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 (2 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-20110318470-A1 Method For Improving Plant Health BROX, PAH, GUSB DNM1 1420/4885MGLL 995/4885CA12 4384/4885
US-20110209253-A1 Method for Improving Plant Health AADAT, AAAS, GUSB DNM1 1613/4885MGLL 681/4885CA12 4219/4885

“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.