SCHEMBL530612

SCHEMBL530612

CC(C)(C)OC(=O)CCNCCOc1cc(CO)nc(CO)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.40
POLB P06746 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
KDM4E B2RXH2 4/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
LMNA P02545 1/20 0.34
ALDH1A1 P00352 2/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 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
SCHEMBL14986214 0.93 LTA4H (0.40) LTA4HPOLBCYP1A2CYP2D6TSHR
SCHEMBL526584 0.87 LTA4H (0.52) LTA4HPOLBCYP1A2CYP2D6TSHR
SCHEMBL2491623 0.85 HDAC8 (0.38) CNR1CNR2HDAC8STING1
SCHEMBL2490558 0.82 STING1 (0.36) POLBCNR1CNR2KDM4ELMNA
SCHEMBL526413 0.81 CA12 (0.53) CA12CA1CA2CA9CNR2
SCHEMBL531111 0.80 KDM4E (0.38) POLBCA12CA1CA2CA9
SCHEMBL1742620 0.80 CA12 (0.54) CYP2D6CYP2C19CA12CA1CA2
SCHEMBL18900144 0.77 LTA4H (0.42) LTA4HHDAC8
SCHEMBL526828 0.77 LTA4H (0.57) LTA4HPOLBCYP1A2CYP2D6TSHR
SCHEMBL1744467 0.76 CA12 (0.55) CA12CA1CA2CA9KMT2A

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
EP-2598507-B1 ANTICANCER DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2017-05-31 EP disclosed
US-9056914-B2 Anticancer derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2015-06-16 US disclosed
EP-2598507-A1 ANTICANCER DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-06-05 EP disclosed
US-20130137659-A1 ANTICANCER DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-05-30 US disclosed
WO-2012014147-A1 ANTICANCER DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-02 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-20130137659-A1 ANTICANCER DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF MCL1, TP53, MYC LTA4H 4377/4885POLB 1182/4885CYP1A2 1018/4885

“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.