SCHEMBL3205933

SCHEMBL3205933

Cc1cc(OCC(=O)O)ccc1Br

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.64
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
MEN1 O00255 5/20 0.59
KMT2A Q03164 5/20 0.59
POLB P06746 1/20 0.59
LMNA P02545 2/20 0.58
MAPK1 P28482 2/20 0.58
ALOX15 P16050 1/20 0.58
TSHR P16473 1/20 0.58
STAT3 P40763 1/20 0.58
TDP1 Q9NUW8 2/20 0.58
MAPT P10636 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
PTPN7 P35236 1/20 0.53
HPGD P15428 2/20 0.51
PTPRB P23467 1/20 0.51
HSD17B10 Q99714 1/20 0.51
KDM4E B2RXH2 2/20 0.51

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
SCHEMBL12578373 0.86 SMN1; SMN2 (0.64) MCL1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL30025591 0.84 MCL1 (0.72) MCL1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL585812 0.84 MCL1 (0.72) MCL1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL28090412 0.84 PTPN7 (0.58) MCL1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL6838793 0.83 MCL1 (0.66) MCL1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL27642525 0.82 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL12443580 0.81 SMN1; SMN2 (0.70) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL3385737 0.81 PPARD (0.69) MCL1
Acetic Acid SCHEMBL28288847 0.81 MCL1 (0.68) MCL1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL14435940 0.81 MCL1 (0.68) MCL1SMN1; SMN2MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7674938-B2 Amino alcohol derivatives, pharmaceutical compositions containing the same, and use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-03-09 US disclosed
US-20080249177-A1 AMINO ALCOHOL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND USE THEREOF KISSEI PHARMACEUTICAL CO., LTD. 2008-10-09 US disclosed
US-7423185-B2 Amino alcohol derivatives, pharmaceutical compositions containing the same, and use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-09-09 US disclosed
EP-1593666-B1 AMINO ALCOHOL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND USE THEREOF KISSEI PHARMACEUTICAL (JP) 2008-07-02 EP disclosed
EP-1679304-A1 AMINO ALCOHOL DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND USE OF THESE Kissei Pharmaceutical Co., Ltd. (JP) 2006-07-12 EP disclosed
US-20060128807-A1 Amino alcohol derivatives, pharmaceutical compositions containing the same, and use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2006-06-15 US disclosed
EP-1593666-A1 AMINO ALCOHOL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND USE THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2005-11-09 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 (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-20060128807-A1 Amino alcohol derivatives, pharmaceutical compositions containing the same, and use thereof ADRB3, ADRA2C, ADRA1A MCL1 4517/4885SMN1; SMN2 4746/4885NPC1 2459/4885
US-20080249177-A1 AMINO ALCOHOL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND USE THEREOF ADRB3, ADRA2C, ADRA1A MCL1 4517/4885SMN1; SMN2 4746/4885NPC1 2459/4885

“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.