SCHEMBL6722347

SCHEMBL6722347

O=C(O)CSc1nc(-c2ccccc2)cc(C(F)(F)F)n1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.72
ALDH1A1 P00352 3/20 0.72
MAPK1 P28482 3/20 0.72
APEX1 P27695 1/20 0.67
MAPT P10636 5/20 0.63
MEN1 O00255 4/20 0.63
KMT2A Q03164 4/20 0.63
SMN1; SMN2 Q16637 4/20 0.63
POLB P06746 1/20 0.63
TP53 P04637 4/20 0.62
THRB P10828 1/20 0.60
NPSR1 Q6W5P4 2/20 0.59
HPGD P15428 1/20 0.59
HSD17B10 Q99714 1/20 0.59

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
SCHEMBL6722321 0.81 KDM4E (0.72) ALDH1A1MAPTSMN1; SMN2POLBTHRB
SCHEMBL6562123 0.76 APEX1 (0.67) L3MBTL1ALDH1A1MAPK1APEX1MEN1
SCHEMBL30230553 0.73 MAPT (0.76) ALDH1A1MAPK1MAPTMEN1KMT2A
SCHEMBL28348483 0.73 MAPT (0.76) ALDH1A1MAPK1MAPTMEN1KMT2A
SCHEMBL14385589 0.73 KDM4E (0.57) ALDH1A1APEX1MAPTMEN1KMT2A
SCHEMBL18527435 0.72 HSD17B10 (0.71) L3MBTL1ALDH1A1MAPK1MAPTMEN1
SCHEMBL2849715 0.71 HSD17B10 (0.65) L3MBTL1ALDH1A1MAPK1MAPTMEN1
SCHEMBL18499105 0.71 CYP2C9 (0.63) MAPK1MAPTMEN1KMT2APOLB
SCHEMBL29976084 0.71 MEN1 (0.57) L3MBTL1ALDH1A1MAPK1MAPTMEN1
SCHEMBL20985636 0.71 MEN1 (0.57) L3MBTL1ALDH1A1MAPK1MAPTMEN1

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 L3MBTL1 217/4885ALDH1A1 265/4885MAPK1 966/4885

“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.