SCHEMBL6721080

SCHEMBL6721080

CCOc1ccc(N(CC(=O)Nc2ccccc2C(=O)O)S(=O)(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.61
POLB P06746 1/20 0.61
OXTR P30559 5/20 0.60
AVPR1A P37288 4/20 0.59
MAPT P10636 4/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
ALDH1A1 P00352 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.58
THRB P10828 2/20 0.56
LMNA P02545 1/20 0.55
GAA P10253 1/20 0.55

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
SCHEMBL798403 0.78 OXTR (0.69) TP53OXTRAVPR1AMAPTMEN1
SCHEMBL10053474 0.77 MAPT (0.69) TP53OXTRAVPR1AMAPTMEN1
SCHEMBL3366693 0.77 MEN1 (0.58) OXTRAVPR1AMAPTMEN1KMT2A
SCHEMBL3366690 0.77 MEN1 (0.58) OXTRAVPR1AMAPTMEN1KMT2A
SCHEMBL6721085 0.77 RORC (0.62) OXTRAVPR1AMAPTMEN1KMT2A
SCHEMBL17340100 0.76 MAPT (0.68) TP53OXTRAVPR1AMAPTMEN1
SCHEMBL14349092 0.76 OXTR (0.87) POLBOXTRAVPR1AMAPTMEN1
SCHEMBL8818859 0.76 MEN1 (0.59) POLBMEN1KMT2ASMN1; SMN2THRB
SCHEMBL3367904 0.75 OXTR (1.00) TP53POLBOXTRAVPR1AMAPT
SCHEMBL3366045 0.75 OXTR (1.00) POLBOXTRAVPR1AMAPTMEN1

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 4 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-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-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

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 TP53 2129/4885POLB 26/4885OXTR 4761/4885

“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.