SCHEMBL7619142

SCHEMBL7619142

CCCCCCC(C(=O)O)S(=O)(=O)c1cccc2cccnc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
TRPV1 Q8NER1 1/20 0.48
HTT P42858 1/20 0.48
KDM4E B2RXH2 3/20 0.48
MAPT P10636 3/20 0.48
GAA P10253 3/20 0.48
APOBEC3G Q9HC16 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ALOX15 P16050 1/20 0.45
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 2/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
HPGD P15428 1/20 0.43
FABP1 P07148 2/20 0.42
KCNA5 P22460 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL6930652 0.88 ADAM17 (0.51) TSHRTRPV1HTTKDM4EMAPT
SCHEMBL7784104 0.76 CA12 (0.43) ALDH1A1CA9
Phenanthroline SCHEMBL9321013 0.75 ACE2 (0.49) TSHRHTTKDM4EMAPTTDP1
SCHEMBL8911719 0.74 TSHR (0.81) TSHRTRPV1HTTKDM4EMAPT
SCHEMBL12933668 0.73 MMP9 (0.54) ALDH1A1
SCHEMBL9754526 0.73 MMP9 (0.54) ALDH1A1
Oxyquinoline SCHEMBL28621541 0.72 TSHR (0.53) TSHRTRPV1HTTKDM4EMAPT
SCHEMBL9239543 0.72 ALOX15 (0.71) TSHRTRPV1KDM4EALOX15ALDH1A1
SCHEMBL2623665 0.72 MAPT (0.60) TSHRHTTKDM4EMAPTGAA
SCHEMBL9318572 0.71 CYSLTR2 (0.47) MAPTNPSR1ALDH1A1CYP3A4

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-6441023-B1 FOR THERAPY OF ARTHRITIS, TUMOR METASTASIS, TISSUE ULCERATION, ABNORMAL WOUND HEALING, PERIODONTAL DISEASE, BONE DISEASE, DIABETES (INSULIN RESISTANCE) AND HIV INFECTION AMERICAN HOME PRODUCTS CORPORATION 2002-08-27 US disclosed
US-20020032186-A1 N-hydroxy-2-(alkyl, aryl, or heteroaryl sulfanyl, sulfinyl or sulfonyl)-3-substituted alkyl, aryl or heteroarylamides as matrix metalloproteinase inhibitors AMERICAN CYANAMID COMPANY (US) 2002-03-14 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-20020032186-A1 N-hydroxy-2-(alkyl, aryl, or heteroaryl sulfanyl, sulfinyl or sulfonyl)-3-substituted alkyl, aryl or heteroarylamides as matrix metalloproteinase inhibitors MMP12, ADAM33, MMP2 TSHR 1268/4885TRPV1 3830/4885HTT 4672/4885

“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.