SCHEMBL4875998

SCHEMBL4875998

CCCCCCOC(=O)[S]

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.64
EPHX1 P07099 1/20 0.59
TSHR P16473 2/20 0.57
CA12 O43570 3/20 0.56
CA1 P00915 3/20 0.56
CA2 P00918 3/20 0.56
CA9 Q16790 3/20 0.56
HCAR2 Q8TDS4 1/20 0.53
RAD52 P43351 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
ALDH1A1 P00352 1/20 0.52
DGKA P23743 1/20 0.52
ACHE P22303 6/20 0.52
FAAH O00519 1/20 0.52

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
SCHEMBL4881001 1.00 NAAA (0.64) NAAAEPHX1TSHRCA12CA1
SCHEMBL4877947 1.00 NAAA (0.64) NAAAEPHX1TSHRCA12CA1
SCHEMBL4877315 0.97
SCHEMBL5932476 0.93 NAAA (0.57) NAAAEPHX1TSHRCA12CA1
SCHEMBL2073921 0.90
SCHEMBL5933026 0.87 MEN1 (0.57) NAAAEPHX1TSHRCA12CA1
SCHEMBL5933041 0.87 MEN1 (0.57) NAAAEPHX1TSHRCA12CA1
SCHEMBL5932627 0.86 ALDH1A1 (0.54) NAAAEPHX1TSHRCA12CA1
SCHEMBL5932926 0.84 MEN1 (0.54) NAAAEPHX1TSHRCA12CA1
SCHEMBL5933115 0.84 MEN1 (0.54) NAAAEPHX1TSHRCA12CA1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080036373-A1 Platinum complex and light-emitting device TAKASAGO INTERNATIONAL CORPORATION 2008-02-14 US disclosed
WO-2007066496-A1 BENZOYLUREA COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-06-14 WO disclosed
US-20060202197-A1 Platinum complex and light-emitting device TAKASAGO INTERNATIONAL CORPORATION 2006-09-14 US disclosed
US-20040097728-A1 Method for producing anellated tetrahydro-{1h}-triazoles BASF AKTIENGESELLSCHAFT (DE) 2004-05-20 US disclosed
US-6737544-B1 HEATING ABOVE MELTING POINT BASF AKTIENGESELLSCHAFT (DE) 2004-05-18 US disclosed
US-6639070-B1 4-substituted 1,3,4-oxadiazines; herbicides BASF AKTIENGESELLSCHAFT (DE) 2003-10-28 US disclosed
EP-1187819-B1 N-SUBSTITUTED PERHYDRO DIAZINE BASF AG (DE) 2003-07-23 EP disclosed
EP-1218350-A1 1-ARYL-1,3-DIHYDRO-IMIDAZOL-2-(THI)ONE DERIVATIVES, PRODUCTION OF SAID COMPOUND AND USE AS A DESSICATING/DEFOLIATING AGENT FOR PLANTS BASF AKTIENGESELLSCHAFT (DE) 2002-07-03 EP disclosed
EP-1123266-A1 METHOD FOR DRYING PHENOXYMETHYLBENZOIC ACIDS BASF AKTIENGESELLSCHAFT (DE) 2001-08-16 EP disclosed
WO-2001025216-A1 1-ARYL-1,3-DIHYDRO-IMIDAZOL-2-(THI)ONE DERIVATIVES, PRODUCTION OF SAID COMPOUND AND USE AS A DESSICATING/DEFOLIATING AGENT FOR PLANTS BASF AKTIENGESELLSCHAFT (DE) 2001-04-12 WO disclosed
EP-0835248-B1 1-AMINO-3-BENZYLURACILS BASF AG (DE) 2001-02-21 EP disclosed
US-6150303-A Substituted 3-phenylisoxazolines BASF AKTIENGESELLSCHAFT (DE) 2000-11-21 US disclosed
WO-2000023413-A1 METHOD FOR DRYING PHENOXYMETHYLBENZOIC ACIDS BASF AKTIENGESELLSCHAFT (DE) 2000-04-27 WO disclosed
EP-0971904-A1 NOVEL 1-AMINO-3 BENZYL URACILS BASF AKTIENGESELLSCHAFT (DE) 2000-01-19 EP disclosed
WO-1998042682-A1 NOVEL 1-AMINO-3 BENZYL URACILS BASF AKTIENGESELLSCHAFT (DE) 1998-10-01 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 (3 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-20040097728-A1 Method for producing anellated tetrahydro-{1h}-triazoles CBR1, CBR3, QSOX1 NAAA 1754/4885EPHX1 374/4885TSHR 1506/4885
US-20080036373-A1 Platinum complex and light-emitting device XPA, ERCC4, UACA NAAA 4485/4885EPHX1 4189/4885TSHR 526/4885
US-20060202197-A1 Platinum complex and light-emitting device RAD1, RAD51, UACA NAAA 3715/4885EPHX1 3998/4885TSHR 1169/4885

“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.