SCHEMBL20132239

SCHEMBL20132239

CCC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CCN1C(=O)C=CC1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.36
▸ BLM P54132 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ WRN Q14191 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ FNTA P49354 2/20 0.35
▸ FNTB P49356 2/20 0.35
▸ PTGS1 P23219 7/20 0.35
▸ PTGS2 P35354 7/20 0.35
▸ MGLL Q99685 5/20 0.34
▸ FAAH O00519 3/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ LMNA P02545 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ GMNN O75496 1/20 0.33
▸ THPO P40225 1/20 0.33

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
SCHEMBL20132349 0.88 FNTA (0.40) ALDH1A1BLMHPGDCYP1A2CYP2C19
SCHEMBL20960454 0.86 PTGS1 (0.36) ALDH1A1HPGDFNTAFNTBPTGS1
SCHEMBL26645910 0.86 KDM4E (0.44) ALDH1A1FNTAFNTBPTGS1PTGS2
SCHEMBL26645911 0.86 KDM4E (0.44) ALDH1A1FNTAFNTBPTGS1PTGS2
SCHEMBL17722908 0.86 PTGS1 (0.36) ALDH1A1HPGDFNTAFNTBPTGS1
SCHEMBL18932739 0.85 FNTA (0.38) ALDH1A1HPGDFNTAFNTBPTGS1
SCHEMBL16006834 0.85 HRH1 (0.36) ALDH1A1HPGDFNTAFNTBPTGS1
SCHEMBL20132101 0.84 PTGS1 (0.41) ALDH1A1HPGDFNTAFNTBPTGS1
SCHEMBL27415153 0.84 AKT1 (0.36) ALDH1A1BLMHPGDCYP1A2CYP2C19
SCHEMBL22668935 0.83 AKT1 (0.35) ALDH1A1HPGDFNTAFNTBPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021195513-A1 BISPECIFIC COMBINATION THERAPY FOR TREATING PROLIFERATIVE DISEASES AND AUTOIMMUNE DISORDERS NOVARTIS AG (CH) 2021-09-30 — — WO disclosed
US-20200338208-A1 GLUCOCORTICOID RECEPTOR AGONIST AND IMMUNOCONJUGATES THEREOF ABBVIE INC. (US) 2020-10-29 — — US disclosed
US-20190105329-A1 ANTI-huLRRC15 ANTIBODY DRUG CONJUGATES AND METHODS FOR THEIR USE ABBVIE INC (US) 2019-04-11 — — US disclosed
US-20180126000-A1 GLUCOCORTICOID RECEPTOR AGONIST AND IMMUNOCONJUGATES THEREOF ABBVIE INC. (US) 2018-05-10 — — 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 (3 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-20180126000-A1 GLUCOCORTICOID RECEPTOR AGONIST AND IMMUNOCONJUGATES THEREOF NR3C1, NR3C2, MC2R ALDH1A1 3434/4885BLM 2995/4885HPGD 1233/4885
US-20190105329-A1 ANTI-huLRRC15 ANTIBODY DRUG CONJUGATES AND METHODS FOR THEIR USE LRRC59, LRRC47, HACD3 ALDH1A1 3611/4885BLM 3658/4885HPGD 4128/4885
US-20200338208-A1 GLUCOCORTICOID RECEPTOR AGONIST AND IMMUNOCONJUGATES THEREOF NR3C1, NR3C2, MC2R ALDH1A1 3434/4885BLM 2995/4885HPGD 1233/4885

“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.

Send feedback