SCHEMBL6553295

SCHEMBL6553295

CCOC(=S)c1ccccc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
ALDH1A1 P00352 6/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
GAA P10253 3/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 2/20 0.43
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
DHODH Q02127 1/20 0.40
ELANE P08246 1/20 0.39
ERCC5 P28715 1/20 0.39
FEN1 P39748 1/20 0.39
HPGD P15428 2/20 0.39
MAPT P10636 2/20 0.39
CCR6 P51684 1/20 0.38
TP53 P04637 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
Fluoride SCHEMBL28135103 0.98 TSHR (0.48) TSHRALDH1A1MEN1KMT2AGAA
SCHEMBL3633014 0.82 TSHR (0.41) TSHRALDH1A1MEN1KMT2AGAA
SCHEMBL2964437 0.82 TSHR (0.48) TSHRALDH1A1MEN1KMT2AGAA
SCHEMBL3082599 0.80 TSHR (0.47) TSHRALDH1A1MEN1KMT2AGAA
SCHEMBL1307735 0.80 TSHR (0.47) TSHRALDH1A1MEN1KMT2AGAA
SCHEMBL9587321 0.80 TSHR (0.47) TSHRALDH1A1KMT2AGAAHSD17B10
SCHEMBL5404185 0.79 TSHR (0.46) TSHRALDH1A1MEN1KMT2AGAA
SCHEMBL30345834 0.79 TSHR (0.55) TSHRALDH1A1MEN1KMT2AGAA
SCHEMBL10381473 0.79 TSHR (0.46) TSHRALDH1A1MEN1KMT2ANPC1
SCHEMBL2116817 0.78 TSHR (0.54) TSHRALDH1A1MEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111517902-B Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof 清华大学 2022-06-14 CN disclosed
CN-111517902-A Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof 清华大学 2020-08-11 CN disclosed
WO-2020155595-A1 AEROBIC OXIDATION SYSTEM CONTAINING SULFINIC ACID, SULFONIC ACID OR DERIVATIVES THEREOF AND PHOTOCATALYTIC OXIDATION METHOD THEREFOR 清华大学 2020-08-06 WO disclosed
CN-108350028-A PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII 豪夫迈·罗氏有限公司 2018-07-31 CN disclosed
CN-1176071-C Process for preparation of 2-alkylthio benzoic acid derivatives ����-���ʿ�ũҵ��˾ 2004-11-17 CN disclosed
US-6777575-B2 BY REACTING AN ALKYLMERCAPTAN WITH THE CORRESPONDING 2-HALO OR 2-NITRO BENZOIC ACID DERIVATIVE; USEFUL AS INTERMEDIATES TO HERBICIDES RHONE-POULENC AGRO (FR) 2004-08-17 US disclosed
EP-0994851-B1 PROCESS FOR THE PREPARATION OF 2-ALKYLTHIO BENZOIC ACID DERIVATIVES BAYER CROPSCIENCE SA (FR) 2004-02-18 EP disclosed
US-20020103396-A1 PROCESS FOR THE PREPARATION OF 2-ALKYLTHIO BENZOIC ACID DERIVATIVES RHONE-POULENC AGRO (FR) 2002-08-01 US disclosed
CN-1262673-A Process for preparation of 2-alkylthio benzoic acid derivatives RHONE POULENC AGROCHIMIE (FR) 2000-08-09 CN disclosed
EP-0994851-A1 PROCESS FOR THE PREPARATION OF 2-ALKYLTHIO BENZOIC ACID DERIVATIVES Rhone Poulenc Agro (FR) 2000-04-26 EP disclosed
WO-1999002489-A1 PROCESS FOR THE PREPARATION OF 2-ALKYLTHIO BENZOIC ACID DERIVATIVES RHONE POULENC AGRO (FR) 1999-01-21 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 (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-20020103396-A1 PROCESS FOR THE PREPARATION OF 2-ALKYLTHIO BENZOIC ACID DERIVATIVES HAX1, BRIX1, SFXN1 TSHR 1992/4885ALDH1A1 692/4885MEN1 1737/4885

“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.