SCHEMBL4728958

SCHEMBL4728958

Cc1ccc(C(=O)O)c(F)c1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.46
GABRP O00591 2/20 0.44
GABRD O14764 2/20 0.44
GABRA1 P14867 2/20 0.44
GABRB1 P18505 2/20 0.44
GABRG2 P18507 2/20 0.44
GABRB3 P28472 2/20 0.44
GABRA5 P31644 2/20 0.44
GABRA3 P34903 2/20 0.44
GABRA2 P47869 2/20 0.44
GABRB2 P47870 2/20 0.44
GABRA4 P48169 2/20 0.44
GABRE P78334 2/20 0.44
GABRA6 Q16445 2/20 0.44
GABRG1 Q8N1C3 2/20 0.44
GABRG3 Q99928 2/20 0.44
GABRQ Q9UN88 2/20 0.44
KEAP1 Q14145 1/20 0.41
ASPH Q12797 1/20 0.40
KDM8 Q8N371 1/20 0.40

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
SCHEMBL21415484 0.84 KDM4E (0.46) KDM4EGABRPGABRDGABRA1GABRB1
SCHEMBL28417296 0.83 CES2 (0.45) KDM4EGABRPGABRDGABRA1GABRB1
SCHEMBL2930434 0.81 KDM4E (0.50) KDM4EGABRPGABRDGABRA1GABRB1
SCHEMBL489533 0.81 HPGD (0.55) KDM4EGABRPGABRDGABRA1GABRB1
SCHEMBL10662412 0.79 KDM4E (0.42) KDM4EGABRPGABRDGABRA1GABRB1
SCHEMBL1457096 0.79 KDM4E (0.48) KDM4EGABRPGABRDGABRA1GABRB1
SCHEMBL30374425 0.79 KDM4E (0.48) KDM4EGABRPGABRDGABRA1GABRB1
SCHEMBL208161 0.78 KDM4E (0.53) KDM4EGABRPGABRDGABRA1GABRB1
SCHEMBL28950924 0.78 KDM4E (0.52) KDM4EGABRPGABRDGABRA1GABRB1
SCHEMBL27292205 0.78 KDM4E (0.46) KDM4EASPHKDM8HAAOCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11891371-B2 Piperonylic acid derivative and preparation and application thereof Shenyang Sinochem Agrochemicals R&D Co., LTD (CN) 2024-02-06 US disclosed
EP-3647305-B1 PIPERIC ACID DERIVATIVE AND PREPARATION AND APPLICATION THEREOF SHENYANG SINOCHEM AGROCHEMICALS R & D CO LTD (CN) 2022-02-23 EP disclosed
US-20200181107-A1 PIPERONYLIC ACID DERIVATIVE AND PREPARATION AND APPLICATION THEREOF SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2020-06-11 US disclosed
EP-3647305-A1 PIPERIC ACID DERIVATIVE AND PREPARATION AND APPLICATION THEREOF Shenyang Sinochem Agrochemicals R & D Co., Ltd. (CN) 2020-05-06 EP disclosed
WO-2016059548-A1 PROCESSES FOR THE PREPARATION OF DABRAFENIB MYLAN LABORATORIES LTD (IN) 2016-04-21 WO disclosed
US-20080207722-A1 Glepp-1 Inhibitors in the Treatment of Autoimmune and/or Inflammatory Disorders LABORATORIES SERONO SA (CH) 2008-08-28 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 (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-11891371-B2 Piperonylic acid derivative and preparation and application thereof CYP51A1, DDT, PIR KDM4E 1003/4885GABRP 49/4885GABRD 127/4885
US-20200181107-A1 PIPERONYLIC ACID DERIVATIVE AND PREPARATION AND APPLICATION THEREOF CYP51A1, DDT, PIR KDM4E 1003/4885GABRP 49/4885GABRD 127/4885
US-20080207722-A1 Glepp-1 Inhibitors in the Treatment of Autoimmune and/or Inflammatory Disorders PPP1R1B, PPP5C, PPP3CA KDM4E 3799/4885GABRP 2083/4885GABRD 2088/4885

“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.