SCHEMBL2449623

SCHEMBL2449623

CC(=O)O[C@H]1[C@@H](OC(C)=O)[C@@H](COCc2ccccc2)O[C@H](OC(=N)C(Cl)(Cl)Cl)[C@@H]1OC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 5/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPK1 P28482 1/20 0.47
NT5E P21589 1/20 0.46
TSHR P16473 1/20 0.45
LMNA P02545 2/20 0.45
KMT2A Q03164 1/20 0.43
PTPN1 P18031 1/20 0.40
CDC25B P30305 1/20 0.40
CYP2C19 P33261 2/20 0.39
POLB P06746 1/20 0.38
THRB P10828 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PAX8 Q06710 1/20 0.38
PRKCA P17252 1/20 0.37
AKT1 P31749 1/20 0.37
PTK2 Q05397 1/20 0.37

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
SCHEMBL7516237 1.00 CYP2D6 (0.47) CYP2D6ALDH1A1MAPK1NT5ETSHR
SCHEMBL16317730 1.00 CYP2D6 (0.47) CYP2D6ALDH1A1MAPK1NT5ETSHR
SCHEMBL22073056 0.95 NT5E (0.53) CYP2D6ALDH1A1MAPK1NT5ETSHR
SCHEMBL7169887 0.93 NT5E (0.53) NT5EPTPN1CDC25B
SCHEMBL21537642 0.93 NT5E (0.53) NT5EPTPN1CDC25B
SCHEMBL24672154 0.93 NT5E (0.53) NT5EPTPN1CDC25B
SCHEMBL22315183 0.93 NT5E (0.55) CYP2D6NT5EPTPN1CDC25B
SCHEMBL2485383 0.93 NT5E (0.53) NT5EPTPN1CDC25B
SCHEMBL19731854 0.93 NT5E (0.53) NT5EPTPN1CDC25B
SCHEMBL7170086 0.93 NT5E (0.53) NT5EPTPN1CDC25B

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-20120258043-A1 Linkable Lewis X Analogs BRACCO SUISSE S.A. (CH) 2012-10-11 US disclosed
US-20110229409-A1 LINKABLE LEWIS X ANALOGS BRACCO INTERNATIONAL B.V. (NL) 2011-09-22 US disclosed
US-20080300220-A1 Linkable Lewis X Analogs BRACCO INTERNATIONAL B.V. (NL) 2008-12-04 US disclosed
US-7422733-B2 Linkable sialyl Lewis X analogs BRACCO INTERNATIONAL B.V. (NL) 2008-09-09 US disclosed
US-20040097403-A1 Linkable sialyl lewis x analogs BRACCO SUISSE SA (CH) 2004-05-20 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 (4 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-20080300220-A1 Linkable Lewis X Analogs SSB, SELPLG, SELL CYP2D6 2973/4885ALDH1A1 1758/4885MAPK1 2022/4885
US-20120258043-A1 Linkable Lewis X Analogs SSB, SELPLG, SELL CYP2D6 2973/4885ALDH1A1 1758/4885MAPK1 2022/4885
US-20040097403-A1 Linkable sialyl lewis x analogs SSB, SELPLG, SELL CYP2D6 3330/4885ALDH1A1 2021/4885MAPK1 1785/4885
US-20110229409-A1 LINKABLE LEWIS X ANALOGS SELPLG, SELL, SELE CYP2D6 1761/4885ALDH1A1 1892/4885MAPK1 1397/4885

“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.