SCHEMBL6721085

SCHEMBL6721085

Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)O)c2cccc(Cl)c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.62
OXTR P30559 5/20 0.62
MAPT P10636 4/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
HTT P42858 2/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
AVPR1A P37288 2/20 0.56
LMNA P02545 2/20 0.55
PTGER1 P34995 1/20 0.54
ALDH1A1 P00352 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
USP2 O75604 1/20 0.54
MAPK1 P28482 1/20 0.54
HPGD P15428 1/20 0.52
ATM Q13315 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KDM4E B2RXH2 1/20 0.52
RECQL P46063 1/20 0.52
GAA P10253 1/20 0.52

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
SCHEMBL15584052 0.82 MCOLN3 (0.67) OXTRMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL7813073 0.81 KEAP1 (0.68) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL24279540 0.78 ALDH1A1 (0.61) RORCOXTRMAPTMEN1KMT2A
SCHEMBL19892767 0.78 SMN1; SMN2 (0.58) RORCOXTRMAPTMEN1KMT2A
SCHEMBL6721080 0.77 TP53 (0.61) OXTRMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL12407762 0.77 PTGER1 (0.64) RORCMAPTMEN1KMT2AHTT
SCHEMBL10053467 0.76 KMT2A (0.78) RORCOXTRMAPTMEN1KMT2A
SCHEMBL10053396 0.76 SMN1; SMN2 (0.86) RORCOXTRMAPTMEN1KMT2A
SCHEMBL16557517 0.75 MCOLN3 (0.65) OXTRMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL16557555 0.75 MAPT (0.66) RORCMAPTMEN1KMT2ASMN1; SMN2

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 RORC 1834/4885OXTR 4761/4885MAPT 2174/4885

“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.