SCHEMBL13560903

SCHEMBL13560903

CCS(=O)(=O)C(=C(Nc1ccc(OC)cc1)Nc1ccc(OC)cc1)S(=O)(=O)CC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 1/20 0.80
▸ SMN1; SMN2 Q16637 4/20 0.53
▸ NPC1 O15118 3/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ ALDH1A1 P00352 4/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ CA12 O43570 1/20 0.49
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ CA9 Q16790 1/20 0.49
▸ MAPT P10636 4/20 0.49
▸ SAE1 Q9UBE0 1/20 0.49
▸ UBA2 Q9UBT2 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ KDM4E B2RXH2 2/20 0.48
▸ MAPK1 P28482 1/20 0.48

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
SCHEMBL11787832 0.72 RECQL (0.49) RECQLSMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL2954416 0.72 L3MBTL1 (0.71) SMN1; SMN2NPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL9313874 0.71 L3MBTL1 (0.76) SMN1; SMN2NPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL11092496 0.70 RAB9A (1.00) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL6396790 0.70 RAB9A (0.76) SMN1; SMN2NPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL16691162 0.69 CA1 (0.63) RECQLSMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL8277402 0.69 L3MBTL1 (0.77) SMN1; SMN2NPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL7556396 0.69 NPC1 (0.69) SMN1; SMN2NPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL9435964 0.69 RAB9A (0.72) SMN1; SMN2NPC1RAB9AL3MBTL1KMT2A
SCHEMBL11481934 0.69 IDO1 (0.66) SMN1; SMN2NPC1RAB9AALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507546-B2 Use of inhibitors of scavenger receptor class proteins for the treatment of infectious diseases INSTITUTO DE MEDICINA MOLECULAR, FACULDADE DE MEDICINA DA UNIVERSIDADE DE LISBOA (PT) 2013-08-13 — — US disclosed
US-8507546-B2 Use of inhibitors of scavenger receptor class proteins for the treatment of infectious diseases INSTITUTO DE MEDICINA MOLECULAR, FACULDADE DE MEDICINA DA UNIVERSIDADE DE LISBOA (PT) 2013-08-13 — — US disclosed
US-20120276121-A1 USE OF INHIBITORS OF SCAVENGER RECEPTOR CLASS PROTEINS FOR THE TREATMENT OF INFECTIOUS DISEASES INSTITUTO DE MEDICINA MOLECULAR, FACULDADE DE MEDICINA DA UNIVERSIDADE DE LISBOA (PT) 2012-11-01 — — US disclosed
US-20120276121-A1 USE OF INHIBITORS OF SCAVENGER RECEPTOR CLASS PROTEINS FOR THE TREATMENT OF INFECTIOUS DISEASES INSTITUTO DE MEDICINA MOLECULAR, FACULDADE DE MEDICINA DA UNIVERSIDADE DE LISBOA (PT) 2012-11-01 — — US disclosed
US-20090324580-A1 Use of Inhibitors of Scavenger Receptor Class Proteins for the Treatment of Infectious Diseases CENIX BIOSCIENCE GMBH (DE) 2009-12-31 — — US disclosed
US-20090324580-A1 Use of Inhibitors of Scavenger Receptor Class Proteins for the Treatment of Infectious Diseases CENIX BIOSCIENCE GMBH (DE) 2009-12-31 — — 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 (2 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-20090324580-A1 Use of Inhibitors of Scavenger Receptor Class Proteins for the Treatment of Infectious Diseases SCARB1, MSR1, HAVCR2 RECQL 3112/4885SMN1; SMN2 3197/4885NPC1 111/4885
US-20120276121-A1 USE OF INHIBITORS OF SCAVENGER RECEPTOR CLASS PROTEINS FOR THE TREATMENT OF INFECTIOUS DISEASES SCARB1, MSR1, HAVCR2 RECQL 3112/4885SMN1; SMN2 3197/4885NPC1 111/4885

“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.

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