SCHEMBL3390928

SCHEMBL3390928

O=C(NC/C=C/c1cccc(SCCc2ccccc2)c1)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RAB9A P51151 1/20 0.40
HDAC1 Q13547 1/20 0.40
MCL1 Q07820 4/20 0.39
BCL2A1 Q16548 4/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
MMP1 P03956 2/20 0.39
MMP2 P08253 2/20 0.39
MMP9 P14780 2/20 0.39
HPGD P15428 1/20 0.38
PLAAT5 Q96KN8 2/20 0.38
PLAAT4 Q9UL19 2/20 0.38
CES1 P23141 1/20 0.38
PLAAT3 P53816 1/20 0.38
PLAAT2 Q9NWW9 1/20 0.38
S1PR1 P21453 1/20 0.38
AKR1B10 O60218 2/20 0.37

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
SCHEMBL3390932 1.00 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ARAB9AHDAC1
SCHEMBL3389942 0.86 S1PR1 (0.35) ALDH1A1MEN1KMT2AMAPTPKM
SCHEMBL3389938 0.86 S1PR1 (0.35) ALDH1A1MEN1KMT2AMAPTPKM
SCHEMBL3390368 0.84 CYSLTR2 (0.40) ALDH1A1MEN1KMT2AMAPTPKM
SCHEMBL3390377 0.84 CYSLTR2 (0.40) ALDH1A1MEN1KMT2AMAPTPKM
SCHEMBL3390683 0.83 ITGB2 (0.39) ALDH1A1MEN1KMT2AHDAC1MAPT
SCHEMBL3390688 0.83 ITGB2 (0.39) ALDH1A1MEN1KMT2AHDAC1MAPT
SCHEMBL3389697 0.81 HPGD (0.41) ALDH1A1MEN1KMT2ARAB9AMAPT
SCHEMBL3389699 0.81 HPGD (0.41) ALDH1A1MEN1KMT2ARAB9AMAPT
SCHEMBL1710636 0.80 ALDH1A1 (0.35) ALDH1A1MEN1KMT2AHDAC1MAPT

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 ALDH1A1 314/4885MEN1 4678/4885KMT2A 2843/4885

“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.