SCHEMBL3205333

SCHEMBL3205333

CC1OC2CN(C(=O)O)CC2O1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
PPP5C P53041 3/20 0.31
NPC1 O15118 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TSHR P16473 2/20 0.31
LMNA P02545 2/20 0.30
PKM P14618 1/20 0.30
MAPK1 P28482 1/20 0.30
FKBP1A P62942 1/20 0.30
TFPI2 P48307 2/20 0.30
PPP2CA P67775 1/20 0.30
NPY4R P50391 1/20 0.30
KDM4E B2RXH2 1/20 0.30
GMNN O75496 1/20 0.30
PMP22 Q01453 1/20 0.30
TP53 P04637 1/20 0.30
NFKB1 P19838 1/20 0.30

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
SCHEMBL21195851 0.85
SCHEMBL505180 0.85
SCHEMBL20760369 0.82 CHRNB2 (0.45) SMN1; SMN2ALDH1A1NPC1NPSR1HSD17B10
SCHEMBL504701 0.77 PPP5C (0.40) SMN1; SMN2PPP5C
SCHEMBL3210127 0.76 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1HPGDNPC1NPSR1
SCHEMBL20680545 0.76 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1HPGDNPC1NPSR1
SCHEMBL2854416 0.76 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1HPGDNPC1NPSR1
SCHEMBL20680182 0.76 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1HPGDNPC1NPSR1
Hydrochloric Acid SCHEMBL2973089 0.74 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1HPGDNPC1NPSR1
Hydrochloric Acid SCHEMBL2973085 0.74 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1HPGDNPC1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029673-A1 THERAPEUTIC AGENTS COMPRISING AN ANTI-ANGIOGENIC AGENT IN COMBINATION WITH AN SRC-INHIBITOR AND THEIR THERAPEUTIC USE ASTRAZENECA AB (SE) 2010-02-04 US disclosed
EP-1562612-B1 COMBINATION PRODUCT OF INHIBITOR OF THE SRC FAMILY OF NON-RECEPTOR TYROSINE KINASES AND GEMCITABINE FOR USE IN THE TREATMENT OR PROPHLAXIX OF PANCREATIC CANCER ASTRAZENECA AB (SE) 2010-01-27 EP disclosed
US-7462623-B2 Quinazoline derivatives as Src tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2008-12-09 US disclosed
EP-1562955-B1 QUINAZOLINE DERIVATIVES AS SRC TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2008-02-27 EP disclosed
US-20060223815-A1 Therapeutic agents comprising an anti-angiogenic agent in combination with an src-inhibitor and their therapeutic use ASTRAZENECA AB (SE) 2006-10-05 US disclosed
US-20060142297-A1 Combination product of inhibitor of the src family of non-recetpor tyrosine kinases and gemcitabine ASTRAZENECA AB (SE) 2006-06-29 US disclosed
US-20060122199-A1 Quinazoline derivatives as src tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2006-06-08 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-20060223815-A1 Therapeutic agents comprising an anti-angiogenic agent in combination with an src-inhibitor and their therapeutic use SRC, TEK, FLT4 SMN1; SMN2 4497/4885ALDH1A1 4169/4885HPGD 1595/4885
US-20060142297-A1 Combination product of inhibitor of the src family of non-recetpor tyrosine kinases and gemcitabine SRC, PTPN4, PTPN1 SMN1; SMN2 3122/4885ALDH1A1 4645/4885HPGD 4369/4885
US-20100029673-A1 THERAPEUTIC AGENTS COMPRISING AN ANTI-ANGIOGENIC AGENT IN COMBINATION WITH AN SRC-INHIBITOR AND THEIR THERAPEUTIC USE SRC, CHUK, CTTN SMN1; SMN2 3127/4885ALDH1A1 2143/4885HPGD 1728/4885
US-20060122199-A1 Quinazoline derivatives as src tyrosine kinase inhibitors SRC, ABL1, ERBB2 SMN1; SMN2 3352/4885ALDH1A1 3374/4885HPGD 4015/4885

“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.