SCHEMBL1943028

SCHEMBL1943028

CC(C)(C)OC(=O)Nc1cc(CSc2ccsc2C(=O)O)ccn1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTPRC P08575 6/20 0.48
▸ PTPRG P23470 6/20 0.48
▸ MAPT P10636 4/20 0.48
▸ CCR2 P41597 2/20 0.48
▸ KMT2A Q03164 2/20 0.44
▸ IGF1R P08069 1/20 0.42
▸ NPSR1 Q6W5P4 4/20 0.42
▸ L3MBTL1 Q9Y468 4/20 0.42
▸ HTT P42858 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ ALPG P10696 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ SCN9A Q15858 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39

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
SCHEMBL1939690 0.86 L3MBTL1 (0.49) PTPRCPTPRGMAPTCCR2IGF1R
SCHEMBL3931756 0.82 CCR2 (0.53) PTPRGCCR2KMT2AIGF1RL3MBTL1
SCHEMBL4019876 0.77 PTPRG (0.67) PTPRCPTPRGMAPTKMT2ANPSR1
SCHEMBL1940043 0.77 ALDH1A1 (0.54) CCR2KMT2AIGF1RL3MBTL1HTT
SCHEMBL10239425 0.76 CCR2 (0.60) CCR2KMT2AIGF1RHTTHPGD
SCHEMBL1942991 0.75 NPSR1 (0.43) PTPRCPTPRGMAPTNPSR1L3MBTL1
SCHEMBL1942417 0.75 CCR2 (0.49) CCR2KMT2AIGF1RNPSR1L3MBTL1
SCHEMBL2771914 0.74 GABRP (0.47) CCR2KMT2AIGF1R
SCHEMBL30468519 0.74 GABRP (0.47) CCR2KMT2AIGF1R
SCHEMBL1942415 0.74 CCR2 (0.49) CCR2KMT2AIGF1RNPSR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1717229-B1 NOVEL CYCLIC COMPOUND HAVING 4-PYRIDYLALKYLTHIO GROUP HAVING (UN)SUBSTITUTED AMINO INTRODUCED THEREIN SANTEN PHARMACEUTICAL CO LTD (JP) 2011-06-15 — — EP disclosed
US-7544703-B2 Cyclic compound having 4-pyridylalkylthio group having substituted or unsubstituted amino group introduced therein SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-06-09 — — US disclosed
US-20070149574-A1 Novel cyclic compound having 4-pyridylalkylthio group having substituted or unsubstituted amino group introduced therein SANTEN PHARMACEUTICAL CO., LTD. (JP) 2007-06-28 — — US disclosed
EP-1717229-A1 NOVEL CYCLIC COMPOUND HAVING 4-PYRIDYLALKYLTHIO GROUP HAVING (UN)SUBSTITUTED AMINO INTRODUCED THEREIN SANTEN PHARMACEUTICAL CO., LTD. (JP) 2006-11-02 — — EP 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-20070149574-A1 Novel cyclic compound having 4-pyridylalkylthio group having substituted or unsubstituted amino group introduced therein FLT4, FLT1, TIE1 PTPRC 656/4885PTPRG 788/4885MAPT 4537/4885

“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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