SCHEMBL3583719

SCHEMBL3583719

CCOC(=O)C(O)(c1c[nH]c2ccccc12)C(F)(F)F

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.50
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 3/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
TSHR P16473 2/20 0.43
POLB P06746 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL29225207 0.85 PKM (0.53) PKMCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL8182308 0.83 GABRA1 (0.53) TSHR
SCHEMBL16675476 0.81 MAPK1 (0.49) PKMCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6284340 0.80 PKM (0.53) PKMCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL15245643 0.80 PKM (0.54) PKMCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL14495565 0.80 PKM (0.50) PKMCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4255993 0.79 MAPK1 (0.50) CYP1A2CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL30032189 0.76 TSHR (0.50) MAPTKDM4ETSHRPOLBNPSR1
SCHEMBL14495545 0.76 PKM (0.46) PKMCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3604125 0.76 NR3C1 (0.48) MAPTKDM4ETSHRNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11737462-B2 Methods for modulating plant response to environmentally-induced stress HOWARD UNIVERSITY (US) 2023-08-29 US disclosed
US-11737462-B2 Methods for modulating plant response to environmentally-induced stress HOWARD UNIVERSITY (US) 2023-08-29 US disclosed
US-20150119250-A1 METHODS FOR MODULATING PLANT RESPONSE TO ENVIRONMENTALLY-INDUCED STRESS GEORGETOWN UNIVERSITY 2015-04-30 US disclosed
US-20150119250-A1 METHODS FOR MODULATING PLANT RESPONSE TO ENVIRONMENTALLY-INDUCED STRESS GEORGETOWN UNIVERSITY 2015-04-30 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
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 (3 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-11737462-B2 Methods for modulating plant response to environmentally-induced stress RACK1, ROS1, HSF1 PKM 2202/4885CYP1A2 3792/4885CYP3A4 4586/4885
US-20150119250-A1 METHODS FOR MODULATING PLANT RESPONSE TO ENVIRONMENTALLY-INDUCED STRESS RACK1, ROS1, HSF1 PKM 2202/4885CYP1A2 3792/4885CYP3A4 4586/4885
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE NR3C1, NR3C2, NR0B1 PKM 4269/4885CYP1A2 1124/4885CYP3A4 274/4885

“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.