SCHEMBL15080491

SCHEMBL15080491

CC(SSc1ccccn1)c1ccc(C(=O)NCCCCCC(=O)ON2C(=O)CC([SH](=O)=O)C2=O)cc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
TP53 P04637 1/20 0.35
HDAC3 O15379 2/20 0.35
HDAC6 Q9UBN7 11/20 0.35
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
DRD3 P35462 1/20 0.33
MEN1 O00255 1/20 0.33
PTAFR P25105 1/20 0.32
HDAC1 Q13547 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
SCHEMBL15493502 0.91 SMN1; SMN2 (0.37) SMN1; SMN2NPC1RAB9ATP53HDAC3
SCHEMBL321300 0.89 SMN1; SMN2 (0.35) SMN1; SMN2NPC1RAB9ATP53HDAC3
SCHEMBL16491630 0.88 HDAC6 (0.35) SMN1; SMN2NPC1RAB9ATP53HDAC3
SCHEMBL179849 0.87 SMN1; SMN2 (0.40) SMN1; SMN2NPC1RAB9ATP53HDAC3
SCHEMBL900949 0.81 SMN1; SMN2 (0.36) SMN1; SMN2NPC1RAB9ATP53HDAC3
SCHEMBL14883315 0.81 HPGD (0.37) SMN1; SMN2HDAC3HDAC6ALDH1A1HDAC1
SCHEMBL15489464 0.80 NPC1 (0.36) SMN1; SMN2NPC1RAB9ATP53NFKB1
SCHEMBL17928447 0.78 SMN1; SMN2 (0.37) SMN1; SMN2NPC1RAB9ATP53HDAC3
SCHEMBL5150403 0.78 MAPK1 (0.52) SMN1; SMN2NPC1RAB9ATP53HDAC3
SCHEMBL30031578 0.77 ALDH1A1 (0.33) SMN1; SMN2HDAC3HDAC6KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11701433-B2 Complexes for delivery of antigenic peptides THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2023-07-18 US disclosed
US-20180221500-A1 Environmentally Sensitive Compositions and Methods of Use Thereof UNIVERSITY OF RHODE ISLAND BOARD OF TRUSTEES 2018-08-09 US disclosed
US-9814781-B2 Environmentally sensitive compositions and methods of use thereof RHODE ISLAND COUNCIL ON POSTSECONDARY EDUCATION (STATUTORY SUCCESSOR TO RHODE ISLAND BOARD OF GOVERNORS FOR HIGHER EDUCATION) (US) 2017-11-14 US disclosed
US-20160256560-A1 Environmentally Sensitive Compositions UNIVERSITY OF RHODE ISLAND BOARD OF TRUSTEES 2016-09-08 US disclosed
US-9289508-B2 Environmentally sensitive compositions and methods of use in the treatment and diagnosis of tumors UNIVERSITY OF RHODE ISLAND (US) 2016-03-22 US disclosed
US-20150051153-A1 Environmentally Sensitive Compositions UNIVERSITY OF RHODE ISLAND BOARD OF TRUSTEES 2015-02-19 US disclosed
US-8475765-B2 Hydroxyalkyl starch derivatives FRESENIUS KABI DEUTSCHLAND GMBH (DE) 2013-07-02 US disclosed
US-20110054152-A1 Hydroxyalkyl Starch Derivatives FRESENIUS KABI DEUTSCHLAND GMBH (DE) 2011-03-03 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 (5 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-11701433-B2 Complexes for delivery of antigenic peptides IFNG, ALB, IFNAR1 SMN1; SMN2 1621/4885NPC1 2759/4885RAB9A 1348/4885
US-20110054152-A1 Hydroxyalkyl Starch Derivatives GRHPR, DCXR, HRH2 SMN1; SMN2 4388/4885NPC1 2773/4885RAB9A 2792/4885
US-20150051153-A1 Environmentally Sensitive Compositions PHLPP1, PHLPP2, FABP2 SMN1; SMN2 3719/4885NPC1 2275/4885RAB9A 1144/4885
US-20180221500-A1 Environmentally Sensitive Compositions and Methods of Use Thereof PHLPP1, PHLPP2, FABP2 SMN1; SMN2 3759/4885NPC1 2211/4885RAB9A 1614/4885
US-20160256560-A1 Environmentally Sensitive Compositions PHLPP1, PHLPP2, FABP2 SMN1; SMN2 3719/4885NPC1 2275/4885RAB9A 1144/4885

“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.