SCHEMBL3387309

SCHEMBL3387309

O=C(NCCC(O)c1cccc(S(=O)(=O)CC2(O)CCCCC2)c1)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RORC P51449 4/20 0.33
GAA P10253 2/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MTNR1A P48039 2/20 0.32
MTNR1B P49286 2/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
ITGB1 P05556 1/20 0.31
ITGA4 P13612 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL3388570 0.99 RORC (0.34) RORCGAALMNASMN1; SMN2MTNR1A
SCHEMBL1724446 0.82 ALDH1A1 (0.32) KMT2A
SCHEMBL13400238 0.81 HDAC6 (0.38) GAALMNASMN1; SMN2MTNR1AMTNR1B
SCHEMBL1710588 0.81 L3MBTL1 (0.33) KMT2A
SCHEMBL1725854 0.80 POLB (0.37) RORCGAASMN1; SMN2MTNR1AMTNR1B
SCHEMBL1710623 0.80 HDAC6 (0.36) GAALMNASMN1; SMN2MTNR1AMTNR1B
SCHEMBL3387273 0.79 MTNR1A (0.32) LMNASMN1; SMN2MTNR1AMTNR1BITGB1
SCHEMBL614292 0.79 MAPK14 (0.36) MTNR1AMTNR1BITGB1ITGA4CNR1
SCHEMBL1725082 0.78 MTNR1A (0.33) GAALMNASMN1; SMN2MTNR1AMTNR1B
SCHEMBL3387507 0.78 ITGB1 (0.34) MTNR1AMTNR1BITGB1ITGA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-04-15 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-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, MPST, CLN6 RORC 987/4885GAA 456/4885LMNA 3498/4885

“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.