SCHEMBL271350

SCHEMBL271350

CCCCC(CC)N[C]=S

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
TSHR P16473 2/20 0.37
CYP3A4 P08684 1/20 0.37
TDP1 Q9NUW8 1/20 0.33
CA2 P00918 5/20 0.32
CA1 P00915 4/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DNM1 Q05193 2/20 0.32
MAPK1 P28482 1/20 0.31
PLA2G2C Q5R387 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
SCHEMBL269571 0.91 DNM1 (0.35) ALDH1A1TSHRCYP3A4TDP1CA2
SCHEMBL271231 0.86 DNM1 (0.37) ALDH1A1TSHRCYP3A4CA2DNM1
SCHEMBL270745 0.86 ALDH1A1 (0.32) ALDH1A1TSHRCYP3A4DNM1PLA2G2C
SCHEMBL4200828 0.86
SCHEMBL270405 0.84 OPRM1 (0.37) TSHRDNM1
SCHEMBL269624 0.80 OPRM1 (0.34) DNM1
SCHEMBL4187400 0.80
SCHEMBL270409 0.77 ALDH1A1 (0.37) ALDH1A1TSHRCYP3A4TDP1CA2
SCHEMBL4440881 0.74
SCHEMBL7995460 0.73

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 101 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
WO-2000035903-A2 THIOCHROMANOYL CYCLOHEXENONE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2000-06-22 WO disclosed
WO-2000014069-A1 CYCLOHEXENONQUINOLINOYL-DERIVATIVES AS HERBICIDAL AGENTS BASF AKTIENGESELLSCHAFT (DE) 2000-03-16 WO disclosed
EP-0966973-A1 SORBEFACIENTS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1999-12-29 EP 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-1999057111-A1 CYCLOHEXENONDIOXOTHIO CHROMANOYL DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1999-11-11 WO disclosed
EP-0953359-A1 PHARMACEUTICAL COMPOSITION FOR ORAL ADMINISTRATION DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1999-11-03 EP disclosed
US-5869501-A PREVENTION AND/OR TREATMENT OF DISEASES CAUSED BY THROMBUS OR EMBOLUS. YAMANOUCHI PHARMACEUTICAL CO. LTD (JP) 1999-02-09 US disclosed
WO-1998031682-A1 4-(3-HETEROCYCLYL-1-BENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-07-23 WO disclosed
EP-0798295-A1 NOVEL AMIDINONAPHTHYL DERIVATIVE OR SALT THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1997-10-01 EP 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 ALDH1A1 463/4885TSHR 4140/4885CYP3A4 1751/4885
US-20110209253-A1 Method for Improving Plant Health AADAT, AAAS, GUSB ALDH1A1 1215/4885TSHR 4466/4885CYP3A4 1837/4885

“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.