SCHEMBL22787048

SCHEMBL22787048

CC/C(O)=C/c1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPFFR2 Q9Y5X5 3/20 0.48
▸ NPFFR1 Q9GZQ6 2/20 0.48
▸ LMNA P02545 2/20 0.43
▸ TRPA1 O75762 1/20 0.40
▸ IDO1 P14902 2/20 0.40
▸ KDR P35968 2/20 0.40
▸ HTR3E A5X5Y0 1/20 0.40
▸ HTR3B O95264 1/20 0.40
▸ HTR3A P46098 1/20 0.40
▸ HTR3D Q70Z44 1/20 0.40
▸ HTR3C Q8WXA8 1/20 0.40
▸ S1PR1 P21453 1/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ NOTUM Q6P988 1/20 0.37
▸ PYCR1 P32322 1/20 0.37
▸ PPARG P37231 1/20 0.36
▸ PPARA Q07869 1/20 0.36

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
SCHEMBL1720610 0.80 NPFFR2 (0.53) NPFFR2NPFFR1LMNATRPA1IDO1
SCHEMBL2908923 0.76 NPFFR1 (0.49) NPFFR2NPFFR1KDRHTR3EHTR3B
SCHEMBL4800123 0.76 NPFFR1 (0.49) NPFFR2NPFFR1KDRHTR3EHTR3B
SCHEMBL4800117 0.76 NPFFR1 (0.49) NPFFR2NPFFR1KDRHTR3EHTR3B
SCHEMBL8997535 0.75 NPFFR2 (0.45) NPFFR2NPFFR1KDRHTR3EHTR3B
SCHEMBL8997541 0.75 NPFFR2 (0.45) NPFFR2NPFFR1KDRHTR3EHTR3B
SCHEMBL16952200 0.74 NPFFR2 (0.57) NPFFR2NPFFR1LMNAIDO1KDR
SCHEMBL22787046 0.74 NPFFR2 (0.39) NPFFR2NPFFR1LMNATRPA1IDO1
SCHEMBL15298179 0.73 ALDH1A1 (0.50) NPFFR2NPFFR1LMNATRPA1KDR
SCHEMBL3311082 0.73 NPFFR1 (0.43) NPFFR2NPFFR1LMNAKDRHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024030529-A1 PRODRUGS OF MYC INHIBITORS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2024-02-08 — — WO disclosed
US-20200390894-A1 PROTEOLYSIS-TARGETING CHIMERIC MOLECULES (PROTACS) THAT INDUCE DEGRADATION OF C-MYC PROTEIN NORTHWESTERN UNIVERSITY (US) 2020-12-17 — — 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 (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-20200390894-A1 PROTEOLYSIS-TARGETING CHIMERIC MOLECULES (PROTACS) THAT INDUCE DEGRADATION OF C-MYC PROTEIN MYCBP, MYC, MYCBP2 NPFFR2 4424/4885NPFFR1 4105/4885LMNA 1673/4885

“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.

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