SCHEMBL668791

SCHEMBL668791

O=S(=O)(O)c1ccc(N=C=S)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.66
CA2 P00918 2/20 0.66
P2RY6 Q15077 3/20 0.53
RAD1 O60671 1/20 0.53
POLB P06746 1/20 0.52
CYP2D6 P10635 1/20 0.52
MIF P14174 1/20 0.46
LMNA P02545 1/20 0.46
ALDH1A1 P00352 3/20 0.45
TSHR P16473 2/20 0.45
NT5E P21589 1/20 0.45
HSD17B10 Q99714 3/20 0.45
TDP1 Q9NUW8 3/20 0.45
KDM4E B2RXH2 2/20 0.45
USP2 O75604 2/20 0.45
LTA P01374 2/20 0.45
CYP3A4 P08684 2/20 0.45
MAPT P10636 2/20 0.45
HPGD P15428 2/20 0.45
P2RX3 P56373 2/20 0.45

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
SCHEMBL31315339 1.00 CA1 (0.66) CA1CA2P2RY6RAD1POLB
SCHEMBL1194107 0.98 CA1 (0.63) CA1CA2P2RY6RAD1POLB
Water SCHEMBL3903037 0.96 CA1 (0.61) CA1CA2P2RY6RAD1POLB
Bitoscanate SCHEMBL8443297 0.87 CA1 (0.63) CA1CA2P2RY6RAD1POLB
SCHEMBL483832 0.83 CA1 (0.70) CA1CA2P2RY6RAD1POLB
SCHEMBL2278953 0.81 POLB (0.53) CA1CA2P2RY6RAD1POLB
SCHEMBL4350715 0.81 RAD1 (0.51) CA1CA2P2RY6RAD1POLB
SCHEMBL1476527 0.79 CA2 (1.00) CA1CA2P2RY6POLBMIF
SCHEMBL2891113 0.79 CA1 (0.66) CA1CA2P2RY6RAD1MIF
SCHEMBL12433773 0.79 POLB (0.52) CA1CA2P2RY6RAD1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11573238-B2 Means and methods for single molecule peptide sequencing VIB VZW (BE) 2023-02-07 US claimed
CN-110681495-B Thiourea compound flotation separation inhibitor and flotation separation method thereof 北京矿冶科技集团有限公司 2021-08-06 CN claimed
CN-111840138-A Fragrant hair care hair dye 长沙蓝姿生物科技有限公司 2020-10-30 CN claimed
US-20200231956-A1 MEANS AND METHODS FOR SINGLE MOLECULE PEPTIDE SEQUENCING UNIVERSITEIT GENT (BE) 2020-07-23 US claimed
CN-110681495-A Thiourea compound flotation separation inhibitor and flotation separation method thereof 北京矿冶科技集团有限公司 2020-01-14 CN claimed
EP-2441454-B1 The use of isothiocyanate compounds in treating prostatitis JC WUXI COMPANY INC (CN) 2015-09-16 EP claimed
EP-1763510-B1 METHOD FOR SEQUENCING AND QUANTIFYING AMINO ACIDS IN POLYPEPTIDES UNIV KOREA IND & ACAD COOP (KR) 2014-06-18 EP claimed
US-8410170-B2 Use of isothiocyanates compounds in treating prostatic diseases and skin cancer WUXI JC PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2013-04-02 US claimed
US-20120125775-A1 CHEMICAL MODIFICATION OF PROTEINS FOR THEIR MORE ACCURATE MOLECULAR-WEIGHT DETERMINATION BY ELECTROPHORESIS DOLNIK VLADISLAV (US) 2012-05-24 US claimed
EP-2441454-A1 The use of isothiocyanates compounds in treating prostatic diseases and skin cancer Cheng, Jingcai (CN) 2012-04-18 EP claimed
US-20120046358-A1 USE OF ISOTHIOCYANATES COMPOUNDS IN TREATING PROSTATIC DISEASES AND SKIN CANCER WUXI JC PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2012-02-23 US claimed
US-7732625-B2 Colorant compounds XEROX CORPORATION (US) 2010-06-08 US claimed
US-20090005438-A1 Use of Isothiocyanates Compounds in Treating Prostatic Diseases and Skin Cancer WUXI JC PHARMACEUTICAL TECHNOLOGY CO., LTD. 2009-01-01 US claimed
EP-1961418-A1 THE USE OF ISOTHIOCYANATES COMPOUNDS IN TREATING PROSTATIC DISEASES AND SKIN CANCER Cheng, Jingcai (CN) 2008-08-27 EP claimed
US-7311767-B2 Forming a salt of a liquid phase change ink carrier of stearyl stearamide, an amine substituted Xanthene, acridine, anthracene or thioxanthene chromogen, and a metal salt capable of forming a compound with two chromogens XEROX CORPORATION (US) 2007-12-25 US claimed
US-7033424-B2 Phase change inks XEROX CORPORATION (US) 2006-04-25 US claimed
US-20060021546-A1 Processes for preparing phase change inks XEROX CORPORATION 2006-02-02 US claimed
US-20060020141-A1 Metallized dye XEROX CORPORATION 2006-01-26 US claimed
US-20060016369-A1 PHASE CHANGE INKS XEROX CORPORATION 2006-01-26 US claimed
US-5962642-A TREATING PROTEIN/PEPTIDE HAVING AMINO TERMINAL ACETYLATED AMINO ACID WITH ACID TO ACETYLATE HYDROXYL GROUP, TREATING WITH ISOTHIOCYANATE COMPOUND IN PRESENCE OF ACID TO FORM THIOCARBAMYL PROTEIN/PEPTIDE, ANALYSIS BY EDMAN DEGRADATION SEIKO INSTRUMENTS INC. (JP) 1999-10-05 US claimed

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-20060020141-A1 Metallized dye CDYL, CDY1; CDY1B, CDYL2 CA1 102/4885CA2 32/4885P2RY6 3979/4885
US-20120046358-A1 USE OF ISOTHIOCYANATES COMPOUNDS IN TREATING PROSTATIC DISEASES AND SKIN CANCER KLK3, TST, GSTA2 CA1 3916/4885CA2 2080/4885P2RY6 3908/4885
US-20090005438-A1 Use of Isothiocyanates Compounds in Treating Prostatic Diseases and Skin Cancer KLK3, TST, GSTA2 CA1 3916/4885CA2 2080/4885P2RY6 3908/4885

“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.