SCHEMBL5030971

SCHEMBL5030971

COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(=O)Cl)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 3/20 0.79
▸ MAPT P10636 2/20 0.79
▸ MEN1 O00255 2/20 0.79
▸ KMT2A Q03164 2/20 0.79
▸ LMNA P02545 1/20 0.79
▸ MAPK1 P28482 1/20 0.79
▸ GPBAR1 Q8TDU6 7/20 0.63
▸ SLC10A2 Q12908 2/20 0.63
▸ NR1H4 Q96RI1 2/20 0.63
▸ TBXA2R P21731 1/20 0.63
▸ PDE3A Q14432 1/20 0.63
▸ VDR P11473 2/20 0.61
▸ CYP2C9 P11712 1/20 0.61
▸ HIF1A Q16665 1/20 0.61
▸ CYP3A4 P08684 2/20 0.59
▸ SLCO1B3 Q9NPD5 1/20 0.59
▸ SLCO1B1 Q9Y6L6 1/20 0.59
▸ ABCC4 O15439 1/20 0.58
▸ CA1 P00915 1/20 0.54
▸ CA2 P00918 1/20 0.54

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
SCHEMBL14570885 1.00 USP2 (0.79) USP2MAPTMEN1KMT2ALMNA
SCHEMBL17578641 0.93 USP2 (0.79) USP2MAPTMEN1KMT2ALMNA
SCHEMBL10073740 0.93 USP2 (0.79) USP2MAPTMEN1KMT2ALMNA
SCHEMBL7992936 0.93 USP2 (0.79) USP2MAPTMEN1KMT2ALMNA
SCHEMBL14315480 0.93 USP2 (0.79) USP2MAPTMEN1KMT2ALMNA
SCHEMBL330008 0.93 USP2 (0.79) USP2MAPTMEN1KMT2ALMNA
SCHEMBL17898400 0.93 USP2 (0.79) USP2MAPTMEN1KMT2ALMNA
SCHEMBL17578745 0.93 USP2 (0.79) USP2MAPTMEN1KMT2ALMNA
SCHEMBL12644541 0.93 USP2 (0.79) USP2MAPTMEN1KMT2ALMNA
SCHEMBL10610770 0.90 USP2 (0.72) USP2MAPTMEN1KMT2ALMNA

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
EP-1935435-B1 Blood pool agents for nuclear magnetic resonance diagnostics BRACCO IMAGING SPA (IT) 2017-09-06 — — EP disclosed
EP-1140209-B1 BLOOD POOL AGENTS FOR NUCLEAR MAGNETIC RESONANCE DIAGNOSTICS BRACCO IMAGING SPA (IT) 2008-08-20 — — EP disclosed
EP-1935435-A2 Blood pool agents for nuclear magnetic resonance diagnostics Bracco Imaging S.p.A (IT) 2008-06-25 — — EP disclosed
EP-1259532-B1 BILE ACIDS CONJUGATES WITH METAL ION CHELATES AND THE USE THEREOF BRACCO IMAGING SPA (IT) 2005-05-04 — — EP disclosed
US-6803030-B2 CONTRAST AGENTS FOR MAGNETIC RESONANCE IMAGING BRACCO IMAGING S.P.A. (IT) 2004-10-12 — — US disclosed
US-20030113265-A1 Bile acids conjugates with metal ion chelates and the use thereof BRACCO IMAGING S.P.A. (IT) 2003-06-19 — — US disclosed
EP-1259532-A1 BILE ACIDS CONJUGATES WITH METAL ION CHELATES AND THE USE THEREOF Bracco Imaging S.p.A. (IT) 2002-11-27 — — EP disclosed
WO-2001064708-A1 BILE ACIDS CONJUGATES WITH METAL ION CHELATES AND THE USE THEREOF BRACCO IMAGING S.P.A. (IT) 2001-09-07 — — 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 (1 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-20030113265-A1 Bile acids conjugates with metal ion chelates and the use thereof SLC10A2, SLC10A1, NR1H4 USP2 3715/4885MAPT 469/4885MEN1 168/4885

“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.

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