SCHEMBL1948733

SCHEMBL1948733

CS(=O)(=O)c1ccccc1S(=O)(=O)N(OC(=O)CCCc1ccccc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 1/20 0.42
ALOX5 P09917 4/20 0.42
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC9 Q9UKV0 2/20 0.41
HDAC5 Q9UQL6 2/20 0.41
MAPK1 P28482 2/20 0.41
ADRA1A P35348 1/20 0.41
SLC6A3 Q01959 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 4/20 0.41
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40

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
SCHEMBL1948803 0.93 TDP1 (0.45) BMP1TDP1KMT2AFFAR1
SCHEMBL1948946 0.85 BMP1 (0.38) BMP1SMN1; SMN2TDP1KMT2ANPC1
SCHEMBL1925989 0.82 BMP1 (0.36) BMP1TDP1
SCHEMBL1927510 0.82 BMP1 (0.37) BMP1TDP1
SCHEMBL1952112 0.80 BMP1 (0.38) BMP1SMN1; SMN2TDP1NPC1RAB9A
SCHEMBL1949476 0.75 HSD11B1 (0.38) BMP1SMN1; SMN2KMT2ANPC1
SCHEMBL1926036 0.74 HSD11B1 (0.40) BMP1SMN1; SMN2TDP1KMT2A
SCHEMBL1948731 0.72 ALDH1A1 (0.39) MAPK1SLC6A3SMN1; SMN2TDP1KMT2A
SCHEMBL1948801 0.69 ALDH1A1 (0.48) BMP1MAPK1SLC6A3TDP1KMT2A
SCHEMBL8623624 0.69 HDAC1 (0.51) ALOX5HDAC3HDAC4HDAC1HDAC7

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-9458127-B2 Bis-acylated hydroxylamine derivatives CARDIOXYL PHARMACEUTICALS, INC. (US) 2016-10-04 US claimed
WO-2011071947-A2 BIS-ACYLATED HYDROXYLAMINE DERIVATIVES JOHNS HOPKINS UNIVERSITY (US) 2011-06-16 WO disclosed
US-20110136827-A1 Bis-Acylated Hydroxylamine Derivatives THE JOHNS HOPKINS UNIVERSITY 2011-06-09 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 (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-20110136827-A1 Bis-Acylated Hydroxylamine Derivatives CPT1A, TNNI3, NOS2 BMP1 3173/4885ALOX5 176/4885HDAC3 78/4885

“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.