SCHEMBL11982011

SCHEMBL11982011

COC(=O)NCCSSCCNC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.40
HDAC1 Q13547 10/20 0.38
HDAC6 Q9UBN7 10/20 0.38
HDAC3 O15379 9/20 0.38
HDAC4 P56524 9/20 0.38
HDAC7 Q8WUI4 9/20 0.38
HDAC2 Q92769 9/20 0.38
HDAC10 Q969S8 9/20 0.38
HDAC11 Q96DB2 9/20 0.38
HDAC8 Q9BY41 9/20 0.38
HDAC9 Q9UKV0 9/20 0.38
HDAC5 Q9UQL6 9/20 0.38
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 1/20 0.32
GAA P10253 2/20 0.32
ALDH1A1 P00352 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
FBP1 P09467 1/20 0.31

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
SCHEMBL13130765 0.83 ALOX15 (0.35) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL18649524 0.82 EPHX1 (0.47) EPHX1TDP1TSHRGAAMEN1
SCHEMBL464489 0.79 EPHX1 (0.46) EPHX1HDAC1HDAC6HDAC3HDAC4
SCHEMBL13341025 0.79 POLB (0.38) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL15145438 0.79 EPHX1 (0.44) EPHX1HDAC1HDAC6HDAC3HDAC4
SCHEMBL14176517 0.77 CA1 (0.31)
SCHEMBL22546603 0.75 GAA (0.33) GAA
SCHEMBL12248326 0.75 POLB (0.35) TSHRFBP1
SCHEMBL1082707 0.75 TDP1 (0.56) EPHX1TDP1TSHRGAAALDH1A1
SCHEMBL13139407 0.74 MEN1 (0.42) EPHX1MEN1KMT2AFBP1

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
US-20120213854-A1 METHODS OF TREATING A SUBJECT AND RELATED PARTICLES, POLYMERS AND COMPOSITIONS CERULEAN PHARMA INC. 2012-08-23 US disclosed
US-20120202772-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY GLUCKSMANN ALEXANDRA (US) 2012-08-09 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 (2 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-20120202772-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY PSMG3, COPB1, PSMA6 EPHX1 3709/4885HDAC1 720/4885HDAC6 126/4885
US-20120213854-A1 METHODS OF TREATING A SUBJECT AND RELATED PARTICLES, POLYMERS AND COMPOSITIONS HLA-DRB1, TSG101, IAPP EPHX1 2213/4885HDAC1 317/4885HDAC6 19/4885

“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.