Sugi Predict

Sugi Predict / Compounds / SCHEMBL2919213

SCHEMBL2919213

SCHEMBL2919213

CC(C)[C@H](NC(=O)CBr)C(=O)OCN1C(=O)CCC(N2C(=O)c3ccccc3C2=O)C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KMT2A Q03164 5/20 0.36
▸ IL1RN P18510 1/20 0.35
▸ ERAP2 Q6P179 1/20 0.35
▸ ERAP1 Q9NZ08 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ DDB1 Q16531 5/20 0.34
▸ CRBN Q96SW2 5/20 0.34
▸ MAP1LC3B Q9GZQ8 1/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ OPRM1 P35372 1/20 0.34
▸ IKZF3 Q9UKT9 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ TSHR P16473 1/20 0.34

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
SCHEMBL2915694 1.00 CYP3A4 (0.39) CYP3A4CYP2D6CYP2C9CYP2C19RAB9A
SCHEMBL14142180 0.91 MAP1LC3B (0.39) KMT2AIL1RNERAP2ERAP1L3MBTL1
SCHEMBL14294653 0.91 MAP1LC3B (0.39) KMT2AIL1RNERAP2ERAP1L3MBTL1
SCHEMBL3594804 0.91 CYP3A4 (0.36) CYP3A4CYP2D6CYP2C9CYP2C19RAB9A
SCHEMBL3594808 0.91 CYP3A4 (0.36) CYP3A4CYP2D6CYP2C9CYP2C19RAB9A
SCHEMBL2918295 0.89 CYP3A4 (0.39) CYP3A4CYP2D6CYP2C9CYP2C19RAB9A
SCHEMBL13167675 0.89 CYP3A4 (0.39) CYP3A4CYP2D6CYP2C9CYP2C19RAB9A
Hydrochloric Acid SCHEMBL2915745 0.89 CYP3A4 (0.38) CYP3A4CYP2D6CYP2C9CYP2C19RAB9A
SCHEMBL13167677 0.88 NPC1 (0.41) CYP3A4CYP2D6CYP2C9CYP2C19RAB9A
Hydrochloric Acid SCHEMBL2911986 0.88 CYP3A4 (0.37) CYP3A4CYP2D6CYP2C9CYP2C19RAB9A

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-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 CYP3A4 958/4885CYP2D6 601/4885CYP2C9 2773/4885
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 CYP3A4 319/4885CYP2D6 338/4885CYP2C9 666/4885

“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.