SCHEMBL15422784

SCHEMBL15422784

CS(=O)(=O)C(CCc1cc(-c2ccccc2)on1)C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.48
ALDH1A1 P00352 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PPARA Q07869 4/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
NPC1 O15118 2/20 0.41
PTGS2 P35354 1/20 0.41
MAPT P10636 3/20 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
SCHEMBL15422342 0.79 MMP2 (0.56) NOTUMALDH1A1RAB9ASMN1; SMN2TDP1
SCHEMBL10157 0.74 MMP12 (0.50)
SCHEMBL15422786 0.74 ALDH1A1 (0.43) NOTUMALDH1A1RAB9ASMN1; SMN2HDAC3
SCHEMBL1222427 0.71 NOTUM (0.54) NOTUMALDH1A1RAB9ASMN1; SMN2TDP1
SCHEMBL15422785 0.71 RAB9A (0.56) NOTUMALDH1A1RAB9ACYP1A2CYP2D6
SCHEMBL19733335 0.71 HSP90AA1 (0.31)
SCHEMBL14210011 0.70 NOTUM (0.65) NOTUMALDH1A1RAB9ASMN1; SMN2TDP1
SCHEMBL5869592 0.70 NOTUM (0.52) NOTUMALDH1A1RAB9ASMN1; SMN2TDP1
SCHEMBL5869598 0.70 NOTUM (0.52) NOTUMALDH1A1RAB9ASMN1; SMN2TDP1
SCHEMBL4050311 0.70 NOTUM (0.74) NOTUMALDH1A1RAB9ASMN1; SMN2TDP1

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-8748466-B2 Isoxazole derivatives useful as antibacterial agents PFIZER INC. (US) 2014-06-10 US disclosed
US-20140024690-A1 Isoxazole Derivatives Useful As Antibacterial Agents PFIZER INC. (US) 2014-01-23 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-20140024690-A1 Isoxazole Derivatives Useful As Antibacterial Agents HAX1, PRXL2A, PRDX1 NOTUM 3706/4885ALDH1A1 2868/4885RAB9A 3690/4885

“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.