SCHEMBL14768484

SCHEMBL14768484

CC(=O)C(CC(=O)OCc1ccccc1)N(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SLC15A1 P46059 2/20 0.42
SYK P43405 1/20 0.41
KLK7 P49862 1/20 0.41
KLK5 Q9Y337 1/20 0.41
CDC25B P30305 1/20 0.40
PPARA Q07869 2/20 0.39
ABCB1 P08183 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ABCC3 O15438 1/20 0.38
NR1I2 O75469 1/20 0.38
ABCB11 O95342 1/20 0.38
NR3C1 P04150 1/20 0.38
RARG P13631 1/20 0.38

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
SCHEMBL25288029 0.82 ALDH1A1 (0.41) ALDH1A1MAPK1L3MBTL1SYKSMN1; SMN2
SCHEMBL29415387 0.82 ALDH1A1 (0.41) ALDH1A1MAPK1L3MBTL1SYKSMN1; SMN2
SCHEMBL25250386 0.82 ALDH1A1 (0.41) ALDH1A1MAPK1L3MBTL1SYKSMN1; SMN2
SCHEMBL12439801 0.80 SYK (0.41) ALDH1A1MAPK1L3MBTL1SYKPPARA
SCHEMBL418232 0.79 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1SYKSMN1; SMN2
SCHEMBL1149587 0.79 SYK (0.40) ALDH1A1MAPK1L3MBTL1SYKPPARA
SCHEMBL2138671 0.78 SYK (0.46) ALDH1A1MAPK1L3MBTL1SYKPPARA
SCHEMBL2137495 0.78 SYK (0.46) ALDH1A1MAPK1L3MBTL1SYKPPARA
SCHEMBL14439276 0.78 SYK (0.39) ALDH1A1MAPK1L3MBTL1SYKPPARA
SCHEMBL8046788 0.78 SYK (0.39) ALDH1A1MAPK1L3MBTL1SYKPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9439986-B2 Tricarbonyl technetium-99m, rhenium-185/187, or rhenium-188 labeled cyclic RGD derivatives and uses thereof BIO IMAGING KOREA CO., LTD. (KR) 2016-09-13 US disclosed
US-20130064766-A1 TRICARBONYL TECHNETIUM-99m OR RHENIUM-188 LABELED CYCLIC RGD DERIVATIVES, A PREPARATION METHOD THEREOF, AND A PHARMACEUTICAL COMPOSITION CONTAINING THE DERIVATIVES AS AN ACTIVE INGREDIENT FOR USE IN THE DIAGNOSIS OR TREATMENT OF ANGIOGENESIS-RELATED DISEASES SNU R&DB FOUNDATION (KR) 2013-03-14 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 (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-20130064766-A1 TRICARBONYL TECHNETIUM-99m OR RHENIUM-188 LABELED CYCLIC RGD DERIVATIVES, A PREPARATION METHOD THEREOF, AND A PHARMACEUTICAL COMPOSITION CONTAINING THE DERIVATIVES AS AN ACTIVE INGREDIENT FOR USE IN THE DIAGNOSIS OR TREATMENT OF ANGIOGENESIS-RELATED DISEASES ITGAV, ITGA5, KDR ALDH1A1 4074/4885MAPK1 2911/4885L3MBTL1 3329/4885

“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.