SCHEMBL6403388

SCHEMBL6403388

COc1ccc(CNC(=O)[C@](CC2CCCCC2)(NC(=O)C2N(C(=O)OC(C)(C)C)CC[S+]2[O-])SC)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 6/20 0.41
LMNA P02545 2/20 0.41
MMP1 P03956 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
ADAM17 P78536 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 1/20 0.38
TP53 P04637 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
STS P08842 1/20 0.37
PKM P14618 1/20 0.36
CACNA1B Q00975 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
TSHR P16473 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
SCHEMBL4845129 0.80 ALDH1A1 (0.45) KMT2AMEN1ALDH1A1LMNAMMP1
SCHEMBL4845114 0.80 CACNA1B (0.48) KMT2AMEN1ALDH1A1LMNASMN1; SMN2
SCHEMBL6402029 0.77 MEN1 (0.49) KMT2AMEN1ALDH1A1LMNASMN1; SMN2
SCHEMBL7768824 0.71 KMT2A (0.42) KMT2AMEN1ALDH1A1LMNAMMP1
SCHEMBL5353390 0.68 KMT2A (0.56) KMT2AMEN1ALDH1A1LMNASMN1; SMN2
SCHEMBL5347270 0.68 KMT2A (0.58) KMT2AMEN1ALDH1A1LMNASMN1; SMN2
SCHEMBL5347274 0.68 KMT2A (0.58) KMT2AMEN1ALDH1A1LMNASMN1; SMN2
SCHEMBL4836117 0.67 CACNA1B (0.51) KMT2AMEN1ALDH1A1LMNAMMP1
SCHEMBL4836119 0.67 KMT2A (0.46) KMT2AMEN1ALDH1A1LMNAMMP1
SCHEMBL4844855 0.66 CACNA1B (0.50) KMT2AMEN1ALDH1A1LMNASMN1; SMN2

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
US-20050090558-A1 Compositions and methods of using compositions with accelerated lymphocyte homing immunosuppressive properties WELFIDE CORPORATION 2005-04-28 US disclosed
US-20040092603-A1 Compositions and methods of using compositions with accelerated lymphocyte homing immunosuppressive properties MITSUBISHI PHARMA CORPORATION (JP) 2004-05-13 US disclosed
US-6667025-B2 Suppressing immune response in a mammal comprising accelerating lymphocyte homing (ALH) to any of mesenteric or peripheral lymph tissues or Peyer's patches by administering an ALH-immunosuppressive compound MITSUBISHI PHARMA CORPORATION (JP) 2003-12-23 US disclosed
US-20020102279-A1 COMPOSITIONS AND METHODS OF USING COMPOSITIONS WITH ACCELERATED LYMPHOCYTE HOMING IMMUNOSUPPRESSIVE PROPERTIES MITSUBISHI PHARMA CORPORATION (JP) 2002-08-01 US disclosed
US-6004565-A Administering fingolimod hydrochloride YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1999-12-21 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 (3 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-20020102279-A1 COMPOSITIONS AND METHODS OF USING COMPOSITIONS WITH ACCELERATED LYMPHOCYTE HOMING IMMUNOSUPPRESSIVE PROPERTIES CD47, S1PR5, S1PR3 KMT2A 1897/4885MEN1 1598/4885ALDH1A1 4227/4885
US-20040092603-A1 Compositions and methods of using compositions with accelerated lymphocyte homing immunosuppressive properties CD47, S1PR5, S1PR3 KMT2A 1897/4885MEN1 1598/4885ALDH1A1 4227/4885
US-20050090558-A1 Compositions and methods of using compositions with accelerated lymphocyte homing immunosuppressive properties CD47, S1PR5, S1PR3 KMT2A 1897/4885MEN1 1598/4885ALDH1A1 4227/4885

“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.