SCHEMBL7084031

SCHEMBL7084031

CCCCCC(=O)c1ccc2c(c1)CCCS2

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 7/20 0.47
HTR7 P34969 1/20 0.40
STS P08842 4/20 0.39
CA2 P00918 1/20 0.39
CTNNB1 P35222 1/20 0.39
WNT3A P56704 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL10688073 0.96 HSD17B3 (0.45) HSD17B3HTR7STSCA2CTNNB1
SCHEMBL7085094 0.92 HSD17B3 (0.49) HSD17B3HTR7STSCA2
SCHEMBL10691604 0.91 HPGD (0.44) HSD17B3CTNNB1WNT3AMEN1ALDH1A1
SCHEMBL10693463 0.85 ATM (0.42) CTNNB1WNT3AALDH1A1MAPTHTT
SCHEMBL25569790 0.82 HPGD (0.47) HSD17B3STSCTNNB1WNT3AMEN1
SCHEMBL10779070 0.81 ATM (0.41) CTNNB1WNT3AALDH1A1MAPTHTT
SCHEMBL7696585 0.80 CTNNB1 (0.57) HSD17B3HTR7CTNNB1WNT3AALDH1A1
SCHEMBL10693207 0.79 GNG2 (0.45) CTNNB1WNT3AALDH1A1MAPT
SCHEMBL8102062 0.78 ALDH1A1 (0.39) CTNNB1WNT3AALDH1A1MAPTHTT
SCHEMBL4694745 0.77 MAPT (0.47) MEN1ALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1044973-B1 Process for the dehalogenation of thiochroman and dihydrobenzothiophene derivatives AMERICAN CYANAMID CO (US) 2003-10-08 EP disclosed
US-6294676-B2 AS CHEMICAL INTERMEDIATE FOR PREPARING HERBICIDES AMERICAN CYANAMID COMPANY 2001-09-25 US disclosed
US-20010014745-A1 PROCESS FOR THE PREPARTION OF 6-(ARYLCARBONYL)-4-OXIMO-DIHYDROBENZOTHIOPYRAN HERBICIDES AND INTERMEDIATES USEFUL THEREIN DOEHNER JR ROBERT FRANCIS (US) 2001-08-16 US disclosed
EP-0915092-B1 Process for the preparation of 6-(arylcarbonyl)-4-oximo-dihydrobenzothiopyran herbicides and intermediates useful therein BASF AG (DE) 2001-06-13 EP disclosed
US-6180797-B1 MULTISTAGE REACTION AND HYDROLYSIS TO FORM HERBICIDES AMERICAN CYANAMID CO. 2001-01-30 US disclosed
EP-1044973-A2 Process for the dehalogenation of thiochroman and dihydrobenzothiophene derivatives American Cyanamid Company (US) 2000-10-18 EP disclosed
WO-2000059898-A2 PROCESS FOR THE DEHALOGENATION OF THIOCHROMAN AND DIHYDROBENZOTHIOPHENE DERIVATIVES AMERICAN CYANAMID COMPANY (US) 2000-10-12 WO disclosed
US-6008402-A REACTING CYCLOHEXADIENECARBOXYLATE-4-ONE COMPOUND WITH A BETA MERCAPTOPROPIONIC ACID TO GIVE THIOENOL, CYCLODEHYDRATING THE THIOENOL AMERICAN CYANAMID COMPANY (US) 1999-12-28 US disclosed
EP-0915092-A1 Process for the preparation of 6-(arylcarbonyl)-4-oximo-dihydrobenzothiopyran herbicides and intermediates useful therein American Cyanamid Company (US) 1999-05-12 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 (1 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-20010014745-A1 PROCESS FOR THE PREPARTION OF 6-(ARYLCARBONYL)-4-OXIMO-DIHYDROBENZOTHIOPYRAN HERBICIDES AND INTERMEDIATES USEFUL THEREIN DDT, CYP4X1, CYP2B6 HSD17B3 693/4885HTR7 1502/4885STS 91/4885

“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.