SCHEMBL1256223

SCHEMBL1256223

OP(O)(=S)c1ccccc1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
HSD17B10 Q99714 2/20 0.44
HPGD P15428 2/20 0.44
BCL2L1 Q07817 1/20 0.44
BACE1 P56817 1/20 0.41
CYP2A6 P11509 1/20 0.39
MAPK1 P28482 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
BCAT2 O15382 1/20 0.38
ALOX5 P09917 1/20 0.35
DPP4 P27487 1/20 0.35
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
HNF4A P41235 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34

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
SCHEMBL28501418 0.83 ALDH1A1 (0.41) ALDH1A1HSD17B10HPGDBCL2L1BACE1
SCHEMBL30480947 0.80 ALDH1A1 (0.52) ALDH1A1HSD17B10HPGDBCL2L1BACE1
SCHEMBL563975 0.77 POLB (0.47) ALDH1A1HSD17B10HPGDBCL2L1BACE1
SCHEMBL11510900 0.77 CYP2A6 (0.44) ALDH1A1HSD17B10HPGDBCL2L1BACE1
SCHEMBL1965079 0.77 ALDH1A1 (0.44) ALDH1A1HSD17B10HPGDBCL2L1BACE1
SCHEMBL28495219 0.74 BCAT2 (0.44) ALDH1A1HSD17B10HPGDBCL2L1BACE1
SCHEMBL1256220 0.74 GPR84 (0.43) ALDH1A1HSD17B10HPGDBCL2L1BACE1
SCHEMBL30729584 0.74 ACP3 (0.47) ALDH1A1HSD17B10HPGDBCL2L1HDAC4
SCHEMBL11770352 0.74 GPR84 (0.43) ALDH1A1HSD17B10HPGDBCL2L1BACE1
SCHEMBL3646058 0.72 CA2 (0.46) ALDH1A1HSD17B10HPGDBCL2L1BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732895-B1 INSECTICIDAL N-SUBSTITUTED SULFOXIMINES DOW AGROSCIENCES LLC (US) 2016-11-16 EP disclosed
CN-102548981-B N1-acyl-5-fluoropyrimidinone derivatives DOW AGROSCIENCES LLC 2015-05-13 CN disclosed
CN-101977900-B 5-fluoro pyrimidine derivatives DOW AGROSCIENCES LLC (US) 2013-11-27 CN disclosed
CN-102056915-A 2-alkynyl-6-pyridin-2-yl-pyridazinones, 2-alkynyl-6-pyridin-2-yl-dihydropyridazinones, 2-alkynyl-6-pyrimidin-2-yl-pyridazinones and 2-alkynyl-6-pyrimidin-2-yl-dihydropyridazinones and their use as fungicides DOW AGROSCIENCES LLC 2011-05-11 CN disclosed
US-7935826-B2 Insecticidal N-substituted (heteroaryl)cycloalkyl sulfoximines DOW AGROSCIENCES LLC (US) 2011-05-03 US disclosed
US-20110039904-A1 Alcohol alkoxylates, agents comprising the same and use of the alcohol alkoxylates as adjuvants in the agrochemical field BASF SE (DE) 2011-02-17 US disclosed
CN-101977900-A 5-fluoro pyrimidine derivatives DOW AGROSCIENCES LLC (US) 2011-02-16 CN disclosed
US-20100210461-A1 Compositions comprising alcohol alkoxylates, and use of the alcohol alkoxylates as adjuvant for the agrochemical sector BASF SE (DE) 2010-08-19 US disclosed
US-20100184603-A1 Alcohol alkoxylates, compositions containing these, and use of the alcohol alkoxylates as adjuvants for the agrochemical field BASF SE (DE) 2010-07-22 US disclosed
US-7678920-B2 Insecticidal N-substituted sulfoximines DOW AGROSCIENCES LLC (US) 2010-03-16 US disclosed
US-20100004290-A1 INSECTICIDAL N-SUBSTITUTED (HETEROARYL)CYCLOALKYL SULFOXIMINES DOW AGROSCIENCES LLC (US) 2010-01-07 US disclosed
US-20050228027-A1 Insecticidal N-substituted sulfoximines CORTEVA AGRISCIENCE LLC 2005-10-13 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 (5 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-20100210461-A1 Compositions comprising alcohol alkoxylates, and use of the alcohol alkoxylates as adjuvant for the agrochemical sector ACOX3, PAOX, HAO2 ALDH1A1 983/4885HSD17B10 400/4885HPGD 1160/4885
US-20110039904-A1 Alcohol alkoxylates, agents comprising the same and use of the alcohol alkoxylates as adjuvants in the agrochemical field CHRM1, CHRM2, AP2M1 ALDH1A1 389/4885HSD17B10 1275/4885HPGD 2060/4885
US-20100004290-A1 INSECTICIDAL N-SUBSTITUTED (HETEROARYL)CYCLOALKYL SULFOXIMINES DDT, MSL1, STS ALDH1A1 3453/4885HSD17B10 1247/4885HPGD 3468/4885
US-20100184603-A1 Alcohol alkoxylates, compositions containing these, and use of the alcohol alkoxylates as adjuvants for the agrochemical field ACOX3, PAOX, ADH5 ALDH1A1 930/4885HSD17B10 801/4885HPGD 1939/4885
US-20050228027-A1 Insecticidal N-substituted sulfoximines GSS, STS, SMS ALDH1A1 3325/4885HSD17B10 1587/4885HPGD 2521/4885

“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.