SCHEMBL464489

SCHEMBL464489

CCNCCSSCCNC(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.46
HDAC1 Q13547 8/20 0.39
HDAC6 Q9UBN7 8/20 0.39
HDAC3 O15379 7/20 0.39
HDAC4 P56524 7/20 0.39
HDAC7 Q8WUI4 7/20 0.39
HDAC2 Q92769 7/20 0.39
HDAC10 Q969S8 7/20 0.39
HDAC11 Q96DB2 7/20 0.39
HDAC8 Q9BY41 7/20 0.39
HDAC9 Q9UKV0 7/20 0.39
HDAC5 Q9UQL6 7/20 0.39
ACHE P22303 7/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.32
BCHE P06276 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
SCHEMBL12513083 0.82 ALOX15 (0.38) EPHX1HDAC1HDAC6HDAC3HDAC4
SCHEMBL10037314 0.82 TDP1 (0.47) EPHX1TSHRALDH1A1
SCHEMBL10243672 0.81 EPHX1 (0.54) EPHX1ACHETSHR
SCHEMBL15145438 0.80 EPHX1 (0.44) EPHX1HDAC1HDAC6HDAC3HDAC4
SCHEMBL11982011 0.79 EPHX1 (0.40) EPHX1HDAC1HDAC6HDAC3HDAC4
SCHEMBL14754715 0.79 EPHX1 (0.44) EPHX1HDAC1HDAC6HDAC3HDAC4
SCHEMBL18236761 0.78 EPHX1 (0.61) EPHX1ACHETSHR
SCHEMBL12852149 0.76 CYP2C19 (0.47) TSHR
SCHEMBL12300324 0.74 MEN1 (0.45) EPHX1TSHR
SCHEMBL464486 0.74 SAT1 (0.31)

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
US-20120064107-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE CERULEAN PHARMA INC. (US) 2012-03-15 US disclosed
US-20120004195-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. 2012-01-05 US disclosed
US-20100247669-A1 POLYMER-AGENT CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS OF USE CERULEAN PHARMA INC. 2010-09-30 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-20100247669-A1 POLYMER-AGENT CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS OF USE LPXN, POLI, BRCA1 EPHX1 2184/4885HDAC1 2302/4885HDAC6 86/4885
US-20120004195-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY PSMG3, COPB1, PSMA6 EPHX1 3709/4885HDAC1 720/4885HDAC6 126/4885
US-20120064107-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE PHOSPHO1, SGMS1, SGMS2 EPHX1 880/4885HDAC1 2997/4885HDAC6 649/4885

“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.