SCHEMBL6038366

SCHEMBL6038366

CC(C)OC(=O)[C@@H](N)Cc1ccc(O)c(C(=O)N2CCN(C)CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 6/20 0.43
▸ HSP90AB1 P08238 3/20 0.40
▸ HSP90B1 P14625 1/20 0.40
▸ ACACB O00763 2/20 0.39
▸ KCNH2 Q12809 1/20 0.38
▸ TMEM97 Q5BJF2 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38
▸ ALOX15 P16050 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ EGFR P00533 1/20 0.38
▸ LCK P06239 1/20 0.38
▸ FYN P06241 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ SLC7A5 Q01650 1/20 0.38

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
SCHEMBL6140245 0.77 ALOX15 (0.62) HSP90AA1HSP90AB1ALOX15HSD17B10KDM4E
SCHEMBL2058808 0.76 ITGB1 (0.48) ACACBHSD17B10TSHRALDH1A1
Hydrochloric Acid SCHEMBL29588252 0.76 ALOX15 (0.60) HSP90AA1HSP90AB1ALOX15HSD17B10KDM4E
SCHEMBL7450749 0.76 MAPT (0.48) KDM4ETDP1ALDH1A1
SCHEMBL6710796 0.74 ALOX15 (0.47) ALOX15HSD17B10KDM4EUSP2EGFR
Hydrochloric Acid SCHEMBL28514335 0.71 ALDH1A1 (0.45) ALOX15HSD17B10KDM4EUSP2EGFR
SCHEMBL5108519 0.71 ALDH1A1 (0.51) ALOX15HSD17B10KDM4EUSP2EGFR
SCHEMBL17774891 0.70 HSP90AA1 (0.57) HSP90AA1ALOX15HSD17B10KDM4EPTGS2
SCHEMBL5598391 0.70 SLC7A5 (0.59) SLC7A5HDAC8CA12CA1CA2
SCHEMBL2058586 0.70 SLC7A5 (0.59) SLC7A5HDAC8CA12CA1CA2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060004019-A1 Steroid sparing agents and methods of using same BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2006-01-05 — — 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-20060004019-A1 Steroid sparing agents and methods of using same IL5, FCER2, CD40 HSP90AA1 845/4885HSP90AB1 512/4885HSP90B1 1433/4885

“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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