SCHEMBL1710601

SCHEMBL1710601

COCCCCCS(=O)(=O)c1cccc(CCCNC(=O)C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
FDFT1 P37268 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MTNR1A P48039 4/20 0.41
MTNR1B P49286 4/20 0.41
ALDH1A1 P00352 3/20 0.41
POLB P06746 1/20 0.40
CYP2C19 P33261 1/20 0.40
MLYCD O95822 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
SCHEMBL1710522 0.87 POLB (0.40) FDFT1MEN1KMT2AMTNR1AMTNR1B
SCHEMBL1710582 0.86 FDFT1 (0.41) FDFT1MTNR1AMTNR1BPOLBMLYCD
SCHEMBL1710649 0.82 POLB (0.51) FDFT1KMT2AKDM4EALDH1A1POLB
SCHEMBL1710695 0.80 FDFT1 (0.43) LMNAFDFT1MEN1KMT2AKDM4E
SCHEMBL1710474 0.79 MTNR1A (0.45) MEN1KMT2AMTNR1AMTNR1B
SCHEMBL1710913 0.79 POLB (0.41) LMNAFDFT1MTNR1AMTNR1BPOLB
SCHEMBL613483 0.78 KDM4E (0.55) FDFT1KDM4EMTNR1AMTNR1BALDH1A1
SCHEMBL1710439 0.78 KAT6A (0.41) FDFT1
SCHEMBL1722752 0.77 HTR6 (0.46)
SCHEMBL612685 0.77 KDM4E (0.56) FDFT1KDM4EMTNR1AMTNR1BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2344451-A2 SULFUR-LINKED COMPOUNDS FOR TREATING OPTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2011-07-20 EP disclosed
US-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-04-15 US disclosed
WO-2010028088-A2 SULFUR-LINKED COMPOUNDS FOR TREATING OPTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-03-11 WO 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-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, MPST, CLN6 LMNA 3498/4885FDFT1 143/4885MEN1 4678/4885

“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.