SCHEMBL4720570

SCHEMBL4720570

NC(=S)CC(=O)c1ccc(F)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 1/20 0.58
NPC1 O15118 3/20 0.55
RAB9A P51151 2/20 0.55
PTPN1 P18031 1/20 0.55
MAPT P10636 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 1/20 0.51
HPGD P15428 1/20 0.51
ALOX12 P18054 1/20 0.51
HTT P42858 1/20 0.51
KMT2A Q03164 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
AGTR1 P30556 1/20 0.49
HTR7 P34969 1/20 0.48
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
ALDH1A1 P00352 3/20 0.47
LMNA P02545 2/20 0.47
CA1 P00915 1/20 0.45
CA2 P00918 1/20 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
SCHEMBL3846985 0.85 PLOD2 (0.60) PLOD2NPC1RAB9APTPN1MAPT
SCHEMBL2491432 0.84 PLOD2 (0.69) PLOD2NPC1RAB9APTPN1MAPT
Hydrochloric Acid SCHEMBL3856158 0.83 PLOD2 (0.58) PLOD2NPC1RAB9APTPN1MAPT
SCHEMBL30305722 0.82 PLOD2 (0.56) PLOD2NPC1RAB9APTPN1MAPT
SCHEMBL8599336 0.78 CYP3A4 (0.70) PLOD2NPC1RAB9APTPN1MAPT
SCHEMBL11175600 0.78 PLOD2 (0.62) PLOD2NPC1RAB9APTPN1MAPT
SCHEMBL30114978 0.78 PLOD2 (0.62) PLOD2NPC1RAB9APTPN1MAPT
SCHEMBL904555 0.78 PLOD2 (0.62) PLOD2NPC1RAB9APTPN1MAPT
SCHEMBL10731900 0.77 MEN1 (0.74) PLOD2NPC1RAB9APTPN1MAPT
Fluoride SCHEMBL11175607 0.77 PLOD2 (0.60) PLOD2NPC1RAB9APTPN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101437799-B P38map kinase inhibitors CHROMA THERAPEUTICS LTD 2012-12-26 CN disclosed
CN-101437799-A P38MAP kinase inhibitors CHROMA THERAPEUTICS LTD (GB) 2009-05-20 CN disclosed
EP-1871770-A1 ORTHO-TERPHENYL INHIBITORS OF P38 KINASE AND METHODS OF TREATING INFLAMMATORY DISORDERS Kalypsys, Inc. (US) 2008-01-02 EP disclosed
US-20060252807-A1 Novel ortho-terphenyl inhibitors of p38 kinase and methods of treating inflammatory disorders KALYPSYS, INC. 2006-11-09 US disclosed
WO-2006116355-A1 ORTHO-TERPHENYL INHIBITORS OF P38 KINASE AND METHODS OF TREATING INFLAMMATORY DISORDERS KALYPSYS, INC. (US) 2006-11-02 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-20060252807-A1 Novel ortho-terphenyl inhibitors of p38 kinase and methods of treating inflammatory disorders MAPK1, MAP3K1, MAPK4 PLOD2 3432/4885NPC1 1832/4885RAB9A 883/4885

“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.