Sugi Predict

Sugi Predict / Compounds / SCHEMBL2916083

SCHEMBL2916083

SCHEMBL2916083

CCN1CCC[C@H]1C(=O)OCN1C(=O)CCC(N2C(=O)c3ccccc3C2=O)C1=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ HSD17B10 Q99714 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.37
▸ CHRM3 P20309 1/20 0.36
▸ POLB P06746 2/20 0.36
▸ HSD11B1 P28845 2/20 0.36
▸ ALDH1A1 P00352 6/20 0.35
▸ CHRM2 P08172 1/20 0.35
▸ OPRM1 P35372 1/20 0.35
▸ DDB1 Q16531 1/20 0.35
▸ CRBN Q96SW2 1/20 0.35
▸ IKZF3 Q9UKT9 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ MAP1LC3B Q9GZQ8 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
SCHEMBL13167683 1.00 MEN1 (0.41) MEN1KMT2AL3MBTL1HSD17B10KDM4E
Hydrochloric Acid SCHEMBL3580660 0.99 MEN1 (0.40) MEN1KMT2AL3MBTL1HSD17B10KDM4E
SCHEMBL4937229 0.91 MAP1LC3B (0.40) MEN1KMT2AL3MBTL1HSD17B10KDM4E
SCHEMBL4937222 0.91 MAP1LC3B (0.40) MEN1KMT2AL3MBTL1HSD17B10KDM4E
SCHEMBL2914056 0.83 KLK7 (0.44) MEN1KMT2AL3MBTL1HSD17B10KDM4E
SCHEMBL19889406 0.82 DDB1 (0.42) MEN1KMT2AL3MBTL1KDM4EPOLB
SCHEMBL4937236 0.82 PDCD1 (0.41) L3MBTL1HSD17B10CHRM3POLBHSD11B1
SCHEMBL4938313 0.82 TMEM97 (0.41) MEN1KMT2AKDM4EALDH1A1DDB1
SCHEMBL4938307 0.82 TMEM97 (0.41) MEN1KMT2AKDM4EALDH1A1DDB1
SCHEMBL4939014 0.81 DDB1 (0.41) MEN1KMT2AKDM4ECHRM3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100240651-A1 WATER-SOLUBLE THALIDOMIDE DERIVATIVES ZHANG HESHENG 2010-09-23 — — US claimed
US-20100240651-A1 WATER-SOLUBLE THALIDOMIDE DERIVATIVES ZHANG HESHENG 2010-09-23 — — US disclosed
EP-1607394-B1 WATER-SOLUBLE THALIDOMINE DERIVATIVES TIAN JIN HEMAY BIO TECH CO LTD (CN) 2010-09-01 — — EP disclosed
US-7741342-B2 Water-soluble thalidomine derivatives Zhang, Hesheng (CN) 2010-06-22 — — US disclosed
US-20060094730-A1 having increased bioavailability when administered orally or by injection; used for treating erythema, behcet's syndrome, crohn's disease, rheumatoid arthritis, abnormal myeloidosis syndrome and tumors ZHANG, HESHENG (CN) 2006-05-04 — — US disclosed
EP-1607394-A1 WATER-SOLUBLE THALIDOMINE DERIVATIVES Tian Jin Hemay Bio-Tech Co., Ltd. (DE) 2005-12-21 — — 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-20100240651-A1 WATER-SOLUBLE THALIDOMIDE DERIVATIVES CCNH, CBR1, CBR3 MEN1 1687/4885KMT2A 1947/4885L3MBTL1 1405/4885
US-20060094730-A1 having increased bioavailability when administered orally or by injection; used for treating erythema, behcet's syndrome, crohn's disease, rheumatoid arthritis, abnormal myeloidosis syndrome and tumors FCGRT, MALT1, IL1R1 MEN1 681/4885KMT2A 3557/4885L3MBTL1 3605/4885

“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.