SCHEMBL41908

SCHEMBL41908

Oc1ccccc1CN=C=S

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 4/20 0.52
TRPA1 O75762 3/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP3A4 P08684 1/20 0.52
HPGD P15428 1/20 0.52
HSPA5 P11021 1/20 0.48
HIF1A Q16665 2/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
AKR1B1 P15121 1/20 0.42
CA12 O43570 3/20 0.41
CA2 P00918 3/20 0.41
IDO1 P14902 2/20 0.41
CA9 Q16790 2/20 0.39
MPO P05164 1/20 0.39
KEAP1 Q14145 1/20 0.39
CYP2E1 P05181 1/20 0.39
CYP2A6 P11509 1/20 0.39
CYP2A13 Q16696 1/20 0.39

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
SCHEMBL29616337 0.84 MIF (0.62) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL2141390 0.84 MIF (0.62) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL5357568 0.80 MIF (0.55) MIFTRPA1HSPA5HIF1ACYP2D6
SCHEMBL14405566 0.79 HSPA5 (0.48) HSPA5HIF1ACYP2D6TSHRTAAR1
SCHEMBL8763355 0.78 MIF (0.56) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL4780020 0.75 MIF (0.52) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL2564569 0.75 MIF (0.52) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL3933178 0.75 MIF (0.52) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL1457250 0.75 MIF (0.52) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL19743369 0.75 MIF (0.52) MIFTRPA1ALDH1A1CYP3A4HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100260737-A1 COMBINATION BETWEEN AN ISOTHIOCYANATE AND LEVODOPA FOR PARKINSON'S DISEASE TREATMENT ALMA MATER STUDIORUM - UNIVERSITA' DI BOLOGNA (IT) 2010-10-14 US claimed
EP-2229166-A1 COMBINATION BETWEEN AN ISOTHIOCYANATE AND LEVODOPA FOR PARKINSON'S DISEASE TREATMENT Alma Mater Studiorum - Università di Bologna (IT) 2010-09-22 EP claimed
EP-2120611-A1 A LOW FAT CONSUMER PRODUCT COMPRISING A NATURAL PRESERVATIVE SYSTEM AND A METHOD FOR MAKING THE SAME UNILEVER N.V. (NL) 2009-11-25 EP claimed
WO-2009083871-A1 COMBINATION BETWEEN AN ISOTHIOCYANATE AND LEVODOPA FOR PARKINSON'S DISEASE TREATMENT ALMA MATER STUDIORUM - UNIVERSITA' DI BOLOGNA (IT) 2009-07-09 WO claimed
WO-2008134071-A1 MULTIMODAL ABUSE RESISTANT EXTENDED RELEASE FORMULATIONS THERAQUEST BIOSCIENCES, INC. (US) 2008-11-06 WO claimed
WO-2008098804-A1 A LOW FAT CONSUMER PRODUCT COMPRISING A NATURAL PRESERVATIVE SYSTEM AND A METHOD FOR MAKING THE SAME UNILEVER N.V. (NL) 2008-08-21 WO claimed
WO-2008033351-A2 MULTIMODAL ABUSE RESISTANT AND EXTENDED RELEASE FORMULATIONS THERAQUEST BIOSCIENCES, INC. (US) 2008-03-20 WO claimed
EP-1841320-A2 METHODS AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING PSORIASIS S.U.L.V.E. Ltd. (IL) 2007-10-10 EP claimed
WO-2006075330-A2 METHODS AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING PSORIASIS S.U.L.V.E. LTD. (IL) 2006-07-20 WO claimed
US-20250066293-A1 OIL-BASED ISOTHIOCYANATE PRODUCTS AND PROCESSES FOR PREPARING OIL-BASED ISOTHIOCYANATE PRODUCTS BRASSICA PROTECTION PRODUCTS LLC (US) 2025-02-27 US disclosed
WO-2023133494-A2 OIL-BASED ISOTHIOCYANATE PRODUCTS AND PROCESSES FOR PREPARING OIL-BASED ISOTHIOCYANATE PRODUCTS BRASSICA PROTECTION PRODUCTS LLC (US) 2023-07-13 WO disclosed
US-20230189800-A1 NEMATODE CONTROL UNIVERSITY OF IDAHO (US) 2023-06-22 US disclosed
US-11602147-B2 Nematode control UNIVERSITY OF IDAHO (US) 2023-03-14 US disclosed
US-20220354125-A1 METHOD FOR USING MUSTARD MEAL OR AN EXTRACT THEREOF UNIVERSITY OF IDAHO (US) 2022-11-10 US disclosed
WO-2005032283-A1 ISOTHIOCYANATE PRESERVATIVES AND METHODS OF THEIR USE THE PROCTER & GAMBLE COMPANY (US) 2005-04-14 WO disclosed
JP-2005013179-A FERMENTATION CONTROLLING AGENT TAIYO KAGAKU CO LTD 2005-01-20 JP disclosed
EP-1450824-A1 PHARMACEUTICAL COMPOSITION ELAN CORPORATION, Plc (IE) 2004-09-01 EP disclosed
WO-2003039561-A1 PHARMACEUTICAL COMPOSITION ELAN CORPORATION, PLC (IE) 2003-05-15 WO disclosed
EP-1229805-A1 Beverage products comprising a preservative system consisting of an isothiocyanate in combination with a sorbate and/or a benzoate THE PROCTER & GAMBLE COMPANY (US) 2002-08-14 EP disclosed
WO-2001035769-A1 PRODUCTS COMPRISING AN ISOTHIOCYANATE PRESERVATIVE SYSTEM AND METHODS OF THEIR USE THE PROCTER & GAMBLE COMPANY (US) 2001-05-25 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-20230189800-A1 NEMATODE CONTROL SNCA, NPEPPS, VHL MIF 1360/4885TRPA1 1389/4885ALDH1A1 1206/4885
US-11602147-B2 Nematode control SNCA, NPEPPS, VHL MIF 1360/4885TRPA1 1389/4885ALDH1A1 1206/4885
US-20220354125-A1 METHOD FOR USING MUSTARD MEAL OR AN EXTRACT THEREOF NOTUM, SI, MGAM MIF 616/4885TRPA1 2531/4885ALDH1A1 4688/4885

“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.