SCHEMBL6720186

SCHEMBL6720186

O=C(O)C(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccccc1

nearest known ligand 0.89

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 16/20 0.89
MMP2 P08253 13/20 0.89
KCNA5 P22460 1/20 0.74
MEN1 O00255 1/20 0.72
POLB P06746 1/20 0.72
KMT2A Q03164 1/20 0.72
ADAM17 P78536 2/20 0.70

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
SCHEMBL5191094 1.00 MMP9 (0.89) MMP9MMP2KCNA5MEN1POLB
SCHEMBL7301154 0.94 MMP9 (1.00) MMP9MMP2KCNA5MEN1POLB
SCHEMBL3154749 0.92 MMP9 (0.88) MMP9MMP2KCNA5MEN1POLB
SCHEMBL8603495 0.92 MMP9 (0.83) MMP9MMP2KCNA5MEN1POLB
SCHEMBL8839724 0.92 MMP9 (0.94) MMP9MMP2KCNA5MEN1POLB
SCHEMBL7468980 0.92 MMP9 (0.83) MMP9MMP2KCNA5MEN1POLB
SCHEMBL7468990 0.92 MMP9 (0.83) MMP9MMP2KCNA5MEN1POLB
SCHEMBL22500298 0.92 MMP9 (0.83) MMP9MMP2KCNA5MEN1POLB
SCHEMBL22500283 0.92 MMP9 (0.83) MMP9MMP2KCNA5MEN1POLB
SCHEMBL13799679 0.92 MMP9 (0.83) MMP9MMP2KCNA5MEN1POLB

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-8183236-B2 Compounds with HIV-1 integrase inhibitory activity and use thereof as anti-HIV/AIDS therapeutics UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2012-05-22 US disclosed
US-20090088420-A1 COMPOUNDS WITH HIV-1 INTEGRASE INHIBITORY ACTIVITY AND USE THEREOF AS ANTI-HIV/AIDS THERAPEUTICS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-04-02 US disclosed
US-4283337-A Process for the purification of tryptophane and derivatives of tryptophane DEUTSCHE GOLD UND- SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) 1981-08-11 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-20090088420-A1 COMPOUNDS WITH HIV-1 INTEGRASE INHIBITORY ACTIVITY AND USE THEREOF AS ANTI-HIV/AIDS THERAPEUTICS TYMP, IMPDH1, SAMHD1 MMP9 962/4885MMP2 1135/4885KCNA5 4791/4885

“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.