SCHEMBL25040484

SCHEMBL25040484

CC(=O)OCCOc1ccc(-c2ccc(C(N)=O)cc2)cc1I

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 6/20 0.50
PDE4B Q07343 6/20 0.50
PDE4C Q08493 6/20 0.50
PDE4D Q08499 6/20 0.50
MKNK1 Q9BUB5 3/20 0.41
MKNK2 Q9HBH9 3/20 0.41
F2 P00734 1/20 0.40
PLAU P00749 1/20 0.40
ST14 Q9Y5Y6 1/20 0.40
CHEK2 O96017 2/20 0.39
CHEK1 O14757 1/20 0.39
LTK P29376 1/20 0.39
CDK8 P49336 1/20 0.39
MAP2K1 Q02750 1/20 0.39
ROCK1 Q13464 1/20 0.39
NTRK3 Q16288 1/20 0.39
NTRK2 Q16620 1/20 0.39
PARP10 Q53GL7 1/20 0.38
PTPN11 Q06124 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL25747870 0.85 XDH (0.38) PDE4APDE4BPDE4CPDE4DPTPN11
SCHEMBL31347273 0.85 PDGFRB (0.44) PTPN11
SCHEMBL25747758 0.85 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DMKNK1
SCHEMBL25040492 0.85 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DMKNK1
SCHEMBL25040493 0.85 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DMKNK1
SCHEMBL25040920 0.82 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DMKNK1
SCHEMBL23499617 0.81 MMP3 (0.44) PDE4B
SCHEMBL25040494 0.76 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DLTK
SCHEMBL6832472 0.74 PARP10 (0.67) PARP10
SCHEMBL9448595 0.74 SMPD1 (0.46) PDE4APDE4BPDE4CPDE4DPARP10

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-20230278956-A1 PREPARATION OF TRIFAROTENE AND INTERMEDIATES AND POLYMORPHS THEREOF TARO PHARMACEUTICAL INDUSTRIES LTD. (IL) 2023-09-07 US disclosed
US-20230278956-A1 PREPARATION OF TRIFAROTENE AND INTERMEDIATES AND POLYMORPHS THEREOF TARO PHARMACEUTICAL INDUSTRIES LTD. (IL) 2023-09-07 US disclosed
US-11691946-B2 Preparation of Trifarotene and intermediates and polymorphs thereof TARO PHARMACEUTICAL INDUSTRIES LTD. (IL) 2023-07-04 US disclosed
US-11691946-B2 Preparation of Trifarotene and intermediates and polymorphs thereof TARO PHARMACEUTICAL INDUSTRIES LTD. (IL) 2023-07-04 US disclosed
US-20230051259-A1 PREPARATION OF TRIFAROTENE AND INTERMEDIATES AND POLYMORPHS THEREOF TARO PHARMACEUTICAL INDUSTRIES LTD. (IL) 2023-02-16 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-20230051259-A1 PREPARATION OF TRIFAROTENE AND INTERMEDIATES AND POLYMORPHS THEREOF UGT1A4, TBK1, UGT1A7 PDE4A 934/4885PDE4B 1192/4885PDE4C 1833/4885
US-20230278956-A1 PREPARATION OF TRIFAROTENE AND INTERMEDIATES AND POLYMORPHS THEREOF UGT1A4, TBK1, UGT1A7 PDE4A 934/4885PDE4B 1192/4885PDE4C 1833/4885
US-11691946-B2 Preparation of Trifarotene and intermediates and polymorphs thereof UGT1A4, TBK1, UGT1A7 PDE4A 934/4885PDE4B 1192/4885PDE4C 1833/4885

“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.