SCHEMBL5889607

SCHEMBL5889607

CC(=S)NCCc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.70
RAB9A P51151 6/20 0.70
SMN1; SMN2 Q16637 4/20 0.70
IDO1 P14902 1/20 0.65
CA12 O43570 1/20 0.63
CA1 P00915 1/20 0.63
CA2 P00918 1/20 0.63
CA9 Q16790 1/20 0.63
LMNA P02545 3/20 0.61
GAA P10253 1/20 0.61
TAAR1 Q96RJ0 1/20 0.61
MAOA P21397 1/20 0.59
MAOB P27338 1/20 0.59
ALDH1A1 P00352 4/20 0.59
ALOX12 P18054 3/20 0.59
HTT P42858 2/20 0.59
MEN1 O00255 2/20 0.59
MAPT P10636 2/20 0.59
KMT2A Q03164 2/20 0.59
MAPK1 P28482 1/20 0.59

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
SCHEMBL159163 0.83 NPC1 (0.76) NPC1RAB9ASMN1; SMN2IDO1CA12
SCHEMBL6524477 0.83 RAB9A (1.00) NPC1RAB9ASMN1; SMN2CA12CA1
Hydrochloric Acid SCHEMBL28389120 0.81 NPC1 (0.61) NPC1RAB9ASMN1; SMN2IDO1CA12
SCHEMBL11632322 0.80 RAB9A (0.78) NPC1RAB9ASMN1; SMN2IDO1CA12
SCHEMBL28879898 0.80 RAB9A (0.66) NPC1RAB9ASMN1; SMN2IDO1CA12
SCHEMBL4019998 0.79 NPC1 (0.70) NPC1RAB9ASMN1; SMN2IDO1CA12
SCHEMBL6307134 0.79 NPC1 (0.59) NPC1RAB9ASMN1; SMN2IDO1CA12
SCHEMBL1860288 0.79 NPC1 (0.70) NPC1RAB9ASMN1; SMN2IDO1CA12
SCHEMBL7858 0.79 KDM4E (0.69) NPC1RAB9ASMN1; SMN2CA12CA1
SCHEMBL28802667 0.79 NPC1 (0.59) NPC1RAB9ASMN1; SMN2IDO1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106957279-A (S)-N- (1- phenethyls) thioacetyl amine compounds and its Pharmaceutical composition and its application 复旦大学 2017-07-18 CN claimed
US-20230321073-A1 COMPOSITIONS AND METHODS FOR TREATING METABOLIC DYSREGULATION Response IP Holding Company, LLC (US) 2023-10-12 US disclosed
US-20230321073-A1 COMPOSITIONS AND METHODS FOR TREATING METABOLIC DYSREGULATION Response IP Holding Company, LLC (US) 2023-10-12 US disclosed
CN-106957279-B (S) -N- (1-phenethyl) thioacetamide compound, medicinal composition and application thereof 复旦大学 2021-01-22 CN disclosed
CN-106957279-B (S) -N- (1-phenethyl) thioacetamide compound, medicinal composition and application thereof 复旦大学 2021-01-22 CN disclosed
CN-109796387-A The preparation method of thio trifluoroacetyl amine compounds 温州大学 2019-05-24 CN disclosed
CN-106957279-A (S)-N- (1- phenethyls) thioacetyl amine compounds and its Pharmaceutical composition and its application 复旦大学 2017-07-18 CN disclosed
CN-106957279-A (S)-N- (1- phenethyls) thioacetyl amine compounds and its Pharmaceutical composition and its application 复旦大学 2017-07-18 CN disclosed
CN-106957279-A (S)-N- (1- phenethyls) thioacetyl amine compounds and its Pharmaceutical composition and its application 复旦大学 2017-07-18 CN disclosed
US-9656960-B2 Inhibitors of microsomal triglyceride transfer protein and apo-B secretion SURFACE LOGIX, INC. (US) 2017-05-23 US disclosed
US-8980915-B2 Inhibitors of microsomal triglyceride transfer protein and apo-B secretion SURFACE LOGIX, INC. (US) 2015-03-17 US disclosed
US-8980915-B2 Inhibitors of microsomal triglyceride transfer protein and apo-B secretion SURFACE LOGIX, INC. (US) 2015-03-17 US disclosed
EP-1877369-B1 INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND APO-B SECRETION SURFACE LOGIX INC (US) 2013-07-10 EP disclosed
US-RE44205-E1 Adenosine A2a receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-05-07 US disclosed
US-20070027183-A1 Inhibitors of microsomal triglyceride transfer protein and apo-B secretion SURFACE LOGIX, INC. (US) 2007-02-01 US disclosed
US-20070027183-A1 Inhibitors of microsomal triglyceride transfer protein and apo-B secretion SURFACE LOGIX, INC. (US) 2007-02-01 US disclosed
US-7105545-B2 N-p-propargyloxyphenethyl-thioacetic acid amides SYNGENTA CROP PROTECTION, INC. (US) 2006-09-12 US disclosed
US-20040127739-A1 Novel n-p-propargyloxyphenethyl-thioacetic acid amides SYNGENTA CROP PROTECTION, INC. 2004-07-01 US disclosed
EP-1373197-A2 NOVEL N-P-PROPARGYLOXYPHENETHYL-THIOACETIC ACID AMIDES Syngenta Participations AG (CH) 2004-01-02 EP disclosed
WO-2002081437-A2 NOVEL N-P-PROPARGYLOXYPHENETHYL-THIOACETIC ACID AMIDES SYNGENTA PARTICIPATIONS AG (CH) 2002-10-17 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-20230321073-A1 COMPOSITIONS AND METHODS FOR TREATING METABOLIC DYSREGULATION LIPC, CPT1A, CETP NPC1 86/4885RAB9A 2919/4885SMN1; SMN2 2745/4885
US-20040127739-A1 Novel n-p-propargyloxyphenethyl-thioacetic acid amides O60361, OGA, GRHPR NPC1 1184/4885RAB9A 1986/4885SMN1; SMN2 4842/4885
US-20070027183-A1 Inhibitors of microsomal triglyceride transfer protein and apo-B secretion APOB, CETP, MTTP NPC1 22/4885RAB9A 3405/4885SMN1; SMN2 4606/4885

“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.