SCHEMBL6720874

SCHEMBL6720874

COC(=O)c1ccccc1NC(=O)c1cc(OC(C)=O)cc(C(=O)Nc2ccccc2C(=O)OC)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.73
▸ HSD17B10 Q99714 3/20 0.73
▸ KDM4E B2RXH2 2/20 0.73
▸ CYP1A2 P05177 1/20 0.59
▸ CYP2D6 P10635 1/20 0.59
▸ CYP2C19 P33261 1/20 0.59
▸ ELANE P08246 1/20 0.58
▸ PRTN3 P24158 1/20 0.58
▸ APOBEC3A P31941 1/20 0.58
▸ APOBEC3G Q9HC16 1/20 0.58
▸ KMT2A Q03164 5/20 0.57
▸ MEN1 O00255 4/20 0.57
▸ MAPT P10636 3/20 0.57
▸ SMN1; SMN2 Q16637 3/20 0.57
▸ POLB P06746 2/20 0.57
▸ ALDH1A1 P00352 2/20 0.57
▸ TP53 P04637 1/20 0.57
▸ GAA P10253 2/20 0.55
▸ MAPK1 P28482 2/20 0.55
▸ LMNA P02545 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
SCHEMBL6242064 0.89 TSHR (0.80) TSHRHSD17B10KDM4ECYP1A2CYP2D6
SCHEMBL2624522 0.88 KMT2A (0.64) TSHRHSD17B10KDM4EKMT2AMEN1
SCHEMBL5928817 0.80 TSHR (0.80) TSHRHSD17B10KDM4ECYP1A2CYP2D6
SCHEMBL11665959 0.79 TSHR (0.77) TSHRHSD17B10KDM4ECYP1A2CYP2D6
SCHEMBL21446855 0.78 KDM4E (0.77) TSHRHSD17B10KDM4ECYP1A2CYP2D6
SCHEMBL14075246 0.77 MEN1 (0.69) KMT2AMEN1SMN1; SMN2ALDH1A1TP53
SCHEMBL11045073 0.77 F10 (0.77) TSHRHSD17B10KDM4ECYP1A2CYP2D6
SCHEMBL4203434 0.76 TSHR (0.76) TSHRHSD17B10KDM4ECYP1A2CYP2D6
SCHEMBL9339256 0.76 TSHR (0.76) TSHRHSD17B10KDM4ECYP1A2CYP2D6
SCHEMBL6359536 0.75 KMT2A (0.78) ELANEPRTN3KMT2AMEN1SMN1; 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 TSHR 4821/4885HSD17B10 425/4885KDM4E 1795/4885

“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.

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