SCHEMBL3601368

SCHEMBL3601368

CCOC(=O)c1c(C(O)(C(=O)OCC)C(F)(F)F)c2cc(OC)ccc2n1C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
ATM Q13315 1/20 0.44
ALDH1A1 P00352 3/20 0.44
ELANE P08246 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.41
ALOX5 P09917 1/20 0.41
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39

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
SCHEMBL2685835 0.85 ATM (0.47) MAPTATMALDH1A1ELANESMN1; SMN2
SCHEMBL3587663 0.84 PLA2G2A (0.52) ELANEKMT2A
SCHEMBL3587646 0.84 ALDH1A1 (0.46) MAPTALDH1A1ELANEPOLBCYP1A2
SCHEMBL10187321 0.77 MAPT (0.42) MAPTATMALDH1A1ELANESMN1; SMN2
SCHEMBL3605317 0.76 ALDH1A1 (0.63) MAPTALDH1A1POLBCYP1A2KMT2A
SCHEMBL26688411 0.74 KDM4E (0.55) MAPTATMALDH1A1ELANESMN1; SMN2
SCHEMBL9557007 0.71 SMN1; SMN2 (0.76) MAPTATMALDH1A1SMN1; SMN2POLB
SCHEMBL30875172 0.71 SMN1; SMN2 (0.76) MAPTATMALDH1A1SMN1; SMN2POLB
SCHEMBL3596394 0.71 ALDH1A1 (0.51) MAPTALDH1A1SMN1; SMN2POLBCYP1A2
SCHEMBL3585003 0.70 TP53 (0.44) ALDH1A1KMT2AKDM4E

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 MAPT 4708/4885ATM 4195/4885ALDH1A1 4118/4885

“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.