SCHEMBL3587313

SCHEMBL3587313

CCOC(=O)C(O)(c1c(CO)n(C)c2ccccc12)C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GLA P06280 1/20 0.43
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
TSHR P16473 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PKM P14618 1/20 0.39
TNF P01375 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
SCHEMBL3596394 0.87 ALDH1A1 (0.51) MAPK1SMN1; SMN2L3MBTL1GLAALDH1A1
SCHEMBL3604201 0.85 ALDH1A1 (0.47) MAPK1SMN1; SMN2L3MBTL1GLAALDH1A1
SCHEMBL3593548 0.84 KMT2A (0.47) SMN1; SMN2L3MBTL1GLAALDH1A1KDM4E
SCHEMBL3587646 0.84 ALDH1A1 (0.46) MAPK1GLAALDH1A1KDM4ETSHR
SCHEMBL3585003 0.80 TP53 (0.44) GLAALDH1A1KDM4EMEN1KMT2A
SCHEMBL27725535 0.77 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1ALDH1A1KDM4ETSHR
SCHEMBL13254019 0.75 GLA (0.75) MAPK1GLAALDH1A1TSHRPOLB
SCHEMBL3591542 0.72 GLA (0.57) MAPK1L3MBTL1GLAALDH1A1TSHR
SCHEMBL3603389 0.72 GLA (0.57) MAPK1GLAALDH1A1KDM4E
SCHEMBL27746273 0.72 KMT2A (0.47) SMN1; SMN2L3MBTL1ALDH1A1KDM4EPOLB

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-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
EP-1930320-A1 NOVEL FUSED PYRROLE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-06-11 EP disclosed
EP-1930320-A1 NOVEL FUSED PYRROLE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-06-11 EP 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-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE NR3C1, NR3C2, NR0B1 MAPK1 703/4885SMN1; SMN2 4722/4885L3MBTL1 3816/4885

“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.