SCHEMBL196529

SCHEMBL196529

C=CCS(=O)(=O)[CH]CCCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.48
ALDH1A1 P00352 2/20 0.48
NPC1 O15118 1/20 0.35
S1PR2 O95136 1/20 0.35
S1PR4 O95977 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
XBP1 P17861 1/20 0.35
S1PR1 P21453 1/20 0.35
MAPK1 P28482 1/20 0.35
AGTR1 P30556 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PPARA Q07869 1/20 0.32

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
SCHEMBL3373286 0.79 TSHR (0.46) TSHRALDH1A1NPC1S1PR2S1PR4
SCHEMBL6528747 0.73 ALDH1A1 (0.48) TSHRALDH1A1NPC1S1PR2S1PR4
SCHEMBL3034952 0.72 TSHR (0.46) TSHRALDH1A1NPC1S1PR2S1PR4
SCHEMBL5379280 0.71 FAAH (0.48) TSHRALDH1A1NPC1S1PR2S1PR4
Sulfuric Acid SCHEMBL3084115 0.70 TSHR (0.70) TSHRALDH1A1LMNATP53MAPT
SCHEMBL195895 0.69 TSHR (0.43) TSHRALDH1A1PPARA
SCHEMBL1678870 0.69
SCHEMBL3033922 0.68 ALDH1A1 (0.43) TSHRALDH1A1NPC1S1PR2S1PR4
Pentane SCHEMBL27636547 0.68 TSHR (0.40) TSHRALDH1A1NPC1S1PR2S1PR4
SCHEMBL101407 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4373493-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK WITH ENHANCED IMID ACTIVITY Nurix Therapeutics, Inc. (US) 2024-05-29 EP disclosed
EP-4370123-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK WITH DIMINISHED IMID ACTIVITY Nurix Therapeutics, Inc. (US) 2024-05-22 EP disclosed
US-20240124475-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK VIA UBIQUITIN PROTEOSOME PATHWAY NURIX THERAPEUTICS, INC. 2024-04-18 US disclosed
US-20240092766-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2024-03-21 US disclosed
EP-4334302-A1 COMPOUNDS FOR INHIBITING OR DEGRADING TARGET PROTEINS, COMPOSITIONS, COMPRISING THE SAME, METHODS OF THEIR MAKING, AND METHODS OF THEIR USE Nurix Therapeutics, Inc. (US) 2024-03-13 EP disclosed
EP-4334303-A1 COMPOUNDS FOR INHIBITING OR DEGRADING ITK, COMPOSITIONS, COMPRISING THE SAME METHODS OF THEIR MAKING AND METHODS OF THEIR USE Nurix Therapeutics, Inc. (US) 2024-03-13 EP disclosed
US-11918569-B2 5-deutero-2,4-thiazolidinedione derivatives and compositions comprising and methods of using the same POXEL SA (FR) 2024-03-05 US disclosed
US-11905287-B2 4-substitued cytisine analogues THE UNIVERSITY OF BRISTOL (GB) 2024-02-20 US disclosed
WO-2024028601-A1 1,2-SUBSTITUTED 3-OXOPYRAZOLIDINE DERIVATIVES AS PROSTAGLANDIN E2 RECEPTOR 4 (EP4) AGONISTS FOR THE TREATMENT OF GASTROINTESTINAL AND PULMONARY DISEASES HEPTARES THERAPEUTICS LIMITED (GB) 2024-02-08 WO disclosed
WO-2024028603-A1 PYRROLIDINE-2-CARBOXAMIDE DERIVATIVES AS PROSTAGLANDIN E2 RECEPTOR 4 (EP4) AGONISTS FOR THE TREATMENT OF GASTROINTESTINAL AND PULMONARY DISEASES HEPTARES THERAPEUTICS LIMITED (GB) 2024-02-08 WO disclosed
US-20070054911-A1 Muscarinic modulators VERTEX PHARMACEUTICALS INCORPORATED 2007-03-08 US disclosed
WO-2007025307-A2 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-03-01 WO disclosed
US-20070043023-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2007-02-22 US disclosed
WO-2007022459-A2 PROCESSES AND INTERMEDIATES VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-02-22 WO disclosed
WO-2007016589-A2 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-02-08 WO disclosed
WO-2006127588-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-11-30 WO disclosed
WO-2006105035-A2 MUSCARINIC MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-10-05 WO disclosed
WO-2006054182-A9 PHOSPHOINDOLES AS HIV INHIBITORS IDENIX CAYMAN LTD 2006-08-17 WO disclosed
WO-2006054182-A2 PHOSPHOINDOLES AS HIV INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2006-05-26 WO disclosed
US-20060074054-A1 Phospho-indoles as HIV inhibitors IDENIX PHARMACEUTICALS LLC 2006-04-06 US 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 (7 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-20070054911-A1 Muscarinic modulators CHRM3, CHRM5, CHRM4 TSHR 134/4885ALDH1A1 2686/4885NPC1 1493/4885
US-20060074054-A1 Phospho-indoles as HIV inhibitors IDO1, PPP5C, INMT TSHR 4573/4885ALDH1A1 4061/4885NPC1 3653/4885
US-20240092766-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 TSHR 2748/4885ALDH1A1 1961/4885NPC1 38/4885
US-20240124475-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK VIA UBIQUITIN PROTEOSOME PATHWAY CBL, XIAP, BTK TSHR 4040/4885ALDH1A1 4160/4885NPC1 2608/4885
US-11918569-B2 5-deutero-2,4-thiazolidinedione derivatives and compositions comprising and methods of using the same SLC5A2, PPARD, DPP4 TSHR 421/4885ALDH1A1 1258/4885NPC1 949/4885
US-11905287-B2 4-substitued cytisine analogues CES2, CDA, PCYT1A TSHR 2201/4885ALDH1A1 1941/4885NPC1 1347/4885
US-20070043023-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 TSHR 131/4885ALDH1A1 2356/4885NPC1 1160/4885

“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.