SCHEMBL21042059

SCHEMBL21042059

COc1ccccc1C(=O)N1C=CC[C@H]1C(=O)O[C@H](C)CCCCC[C@@H](O)C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ MAPK14 Q16539 1/20 0.34
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HSD11B1 P28845 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ F2 P00734 1/20 0.33
▸ MGLL Q99685 1/20 0.32
▸ CTSD P07339 1/20 0.32
▸ HCRTR1 O43613 2/20 0.32
▸ HCRTR2 O43614 2/20 0.32

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
SCHEMBL21042058 0.89 ALDH1A1 (0.35) ALDH1A1
SCHEMBL21041369 0.89 ALDH1A1 (0.35) ALDH1A1
SCHEMBL20996806 0.89 FKBP1A (0.34) HTTALDH1A1TSHRCYP2C9CYP2C19
SCHEMBL19505766 0.89 FKBP1A (0.34) HTTALDH1A1TSHRCYP2C9CYP2C19
SCHEMBL21042221 0.87 SMN1; SMN2 (0.31) —
SCHEMBL21042938 0.87 ALDH1A1 (0.35) ALDH1A1LMNAKMT2APOLB
SCHEMBL21042061 0.85 KMT2A (0.38) HTTALDH1A1CA12CA1CA2
SCHEMBL21042214 0.85 TSHR (0.37) TSHR
SCHEMBL21041357 0.82 PNLIP (0.30) —
SCHEMBL21042261 0.81 MGLL (0.35) MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10647671-B2 Promysalin analogues and methods of use thereof Temple University—Of the Commonwealth System of Higher Education (US) 2020-05-12 — — US disclosed
US-20190161444-A1 Novel Promysalin Analogues and Methods of Use Thereof Temple University--of the Commonwealth System of Higher Education 2019-05-30 — — 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 (2 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-10647671-B2 Promysalin analogues and methods of use thereof CCL11, MAN2A1, PREP HTT 2890/4885ALDH1A1 2458/4885TSHR 4103/4885
US-20190161444-A1 Novel Promysalin Analogues and Methods of Use Thereof MASP2, MAN2A1, CCL11 HTT 3031/4885ALDH1A1 2906/4885TSHR 4165/4885

“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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