Sugi Predict

Sugi Predict / Compounds / SCHEMBL16856543

SCHEMBL16856543

SCHEMBL16856543

O=CCCCCCN1C(=O)C=CC1O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 4/20 0.34
▸ FAAH O00519 3/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ TLR9 Q9NR96 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ XBP1 P17861 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ GPR35 Q9HC97 1/20 0.33
▸ GPR55 Q9Y2T6 1/20 0.33
▸ GBA1 P04062 1/20 0.32

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
SCHEMBL22214489 0.80 GBA1 (0.51) MGLLFAAHHSP90AA1TLR9ALDH1A1
SCHEMBL21610368 0.80 MGLL (0.59) MGLLFAAHHSP90AA1TLR9ALDH1A1
SCHEMBL20273044 0.80 MGLL (0.35) MGLLFAAHHSP90AA1TLR9ALDH1A1
SCHEMBL19851854 0.80 MGLL (0.59) MGLLFAAHHSP90AA1TLR9ALDH1A1
SCHEMBL19401650 0.78 MGLL (0.57) MGLLFAAHHSP90AA1TLR9ALDH1A1
SCHEMBL20197866 0.77 PTGS1 (0.40) MGLLFAAHHSP90AA1TLR9ALDH1A1
SCHEMBL12629192 0.77 PTGS1 (0.56) LMNASMN1; SMN2TSHRPTGS1PTGS2
SCHEMBL24864496 0.76 PTGS1 (0.39) MGLLFAAHHSP90AA1TLR9ALDH1A1
SCHEMBL19901620 0.76 PTGS1 (0.39) MGLLFAAHHSP90AA1TLR9ALDH1A1
SCHEMBL17178192 0.76 HSP90AA1 (0.32) MGLLFAAHHSP90AA1TLR9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10682371-B2 Small molecule conjugates specifically activated in tumor microenvironment for targeting and use thereof YAFEI SHANGHAI BIOLOG MEDICINE SCIENCE & TECHNOLOGY CO. LTD. (CN) 2020-06-16 — — US disclosed
US-20170266308-A1 SMALL MOLECULE CONJUGATES SPECIFICALLY ACTIVATED IN TUMOR MICROENVIROMENT FOR TARGETING AND USE THEREOF YAFEI SHANGHAI BIOLOG MEDICINE SCIENCE & TECHNOLOGY CO. LTD. (CN) 2017-09-21 — — US disclosed
WO-2015095301-A2 CYTOTOXIC PEPTIDES AND CONJUGATES THEREOF IRM LLC (BM) 2015-06-25 — — 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 (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-20170266308-A1 SMALL MOLECULE CONJUGATES SPECIFICALLY ACTIVATED IN TUMOR MICROENVIROMENT FOR TARGETING AND USE THEREOF CD4, MET, TNFSF10 MGLL 4194/4885FAAH 3370/4885HSP90AA1 3061/4885
US-10682371-B2 Small molecule conjugates specifically activated in tumor microenvironment for targeting and use thereof MET, ARG1, CD4 MGLL 4679/4885FAAH 2330/4885HSP90AA1 2677/4885

“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.