SCHEMBL3587646

SCHEMBL3587646

CCOC(=O)c1c(C(O)(C(=O)OCC)C(F)(F)F)c2ccccc2n1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 3/20 0.46
MAPK1 P28482 1/20 0.44
GLA P06280 1/20 0.43
POLB P06746 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TSHR P16473 3/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PKM P14618 1/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41

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) ALDH1A1KDM4EMAPK1GLAPOLB
SCHEMBL3587313 0.84 MAPK1 (0.44) ALDH1A1KDM4EMAPK1GLAPOLB
SCHEMBL3601368 0.84 MAPT (0.45) ALDH1A1KDM4EPOLBNPSR1HSD17B10
SCHEMBL2686401 0.83 ALDH1A1 (0.53) ALDH1A1KDM4ENPSR1TSHRHSD17B10
SCHEMBL3604201 0.83 ALDH1A1 (0.47) ALDH1A1KDM4EMAPK1GLAPOLB
SCHEMBL7878088 0.76 TSHR (0.66) ALDH1A1KDM4ENPSR1TSHRHSD17B10
SCHEMBL30639225 0.76 TSHR (0.66) ALDH1A1KDM4ENPSR1TSHRHSD17B10
SCHEMBL13254019 0.75 GLA (0.75) ALDH1A1MAPK1GLAPOLBNPSR1
SCHEMBL9867870 0.74 ALDH1A1 (0.68) ALDH1A1KDM4ENPSR1TSHRHSD17B10
SCHEMBL3585003 0.74 TP53 (0.44) ALDH1A1KDM4EGLAMEN1KMT2A

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 ALDH1A1 4118/4885KDM4E 1967/4885MAPK1 703/4885

“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.