SCHEMBL664007

SCHEMBL664007

O=C(NCCNC(=O)c1ccc(O[C@H]2CC[C@@H](C(=O)O)CC2)c(F)c1F)c1ccc(Cl)s1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
F10 P00742 9/20 0.41
F2 P00734 3/20 0.41
HPGD P15428 2/20 0.38
TSHR P16473 1/20 0.38
ACACB O00763 1/20 0.35
DGAT1 O75907 1/20 0.35

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
SCHEMBL10186307 1.00 MAPK1 (0.41) MAPK1F10F2HPGDTSHR
SCHEMBL664008 1.00 MAPK1 (0.41) MAPK1F10F2HPGDTSHR
SCHEMBL10184506 0.86 RXFP1 (0.42) MAPK1F10F2HPGDTSHR
SCHEMBL10184431 0.85 PDE4A (0.36) HPGDACACBDGAT1
SCHEMBL10184505 0.84 HRH3 (0.43) MAPK1F10F2DGAT1
SCHEMBL10186251 0.84 F10 (0.42) MAPK1F10F2DGAT1
SCHEMBL10186450 0.84 ALDH1A1 (0.42) TSHRDGAT1
SCHEMBL10184512 0.84 UTS2R (0.47)
SCHEMBL10185367 0.84 PRSS12 (0.41) F10
SCHEMBL10184541 0.82 OPRM1 (0.37) HPGDACACBDGAT1

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
EP-2423182-A1 DIACYLETHYLENEDIAMINE COMPOUND Astellas Pharma Inc. (JP) 2012-02-29 EP claimed
US-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-23 US claimed
EP-2423182-A1 DIACYLETHYLENEDIAMINE COMPOUND Astellas Pharma Inc. (JP) 2012-02-29 EP disclosed
US-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-23 US disclosed
US-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-23 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 (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-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND DGAT1, DGAT2, DIMT1 MAPK1 2553/4885F10 3477/4885F2 3429/4885

“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.