SCHEMBL17345490

SCHEMBL17345490

N[C@@H](CC(=O)O)C(=O)OCCOC(=O)CC(=O)c1cc2c(o1)C(=O)c1ccccc1C2=O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 11/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ SLC1A3 P43003 1/20 0.35
▸ SLC1A2 P43004 1/20 0.35
▸ SLC1A1 P43005 1/20 0.35
▸ MAPT P10636 3/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ LTA4H P09960 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ PKLR P30613 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ APAF1 O14727 1/20 0.31
▸ MITF O75030 1/20 0.31

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
SCHEMBL17345495 0.90 STAT3 (0.49) STAT3ALDH1A1SLC1A3SLC1A2SLC1A1
SCHEMBL18731409 0.90 STAT3 (0.49) STAT3ALDH1A1SLC1A3SLC1A2SLC1A1
SCHEMBL18731408 0.90 STAT3 (0.49) STAT3ALDH1A1SLC1A3SLC1A2SLC1A1
SCHEMBL17345462 0.89 STAT3 (0.48) STAT3ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL17345494 0.89 STAT3 (0.48) STAT3ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL18807117 0.88 STAT3 (0.50) STAT3ALDH1A1MAPTMEN1POLB
SCHEMBL18731248 0.87 STAT3 (0.45) STAT3ALDH1A1SLC1A3SLC1A2SLC1A1
SCHEMBL17345492 0.86 STAT3 (0.47) STAT3ALDH1A1SLC1A3SLC1A2SLC1A1
SCHEMBL18730843 0.86 STAT3 (0.47) STAT3ALDH1A1SLC1A3SLC1A2SLC1A1
SCHEMBL17345471 0.86 STAT3 (0.52) STAT3ALDH1A1MAPTMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11267797-B2 Anticancer agent KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2022-03-08 — — US disclosed
US-20200317630-A1 ANTICANCER AGENT KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2020-10-08 — — US disclosed
US-10689355-B2 Anticancer agent Kyoto Pharmaceuticals Industries, Ltd. (JP) 2020-06-23 — — US disclosed
US-20190322636-A1 NOVEL ANTICANCER AGENT KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2019-10-24 — — US disclosed
US-10377730-B2 Anticancer agent KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2019-08-13 — — US disclosed
US-10005752-B2 Anticancer agent KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2018-06-26 — — US disclosed
US-10005752-B2 Anticancer agent KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2018-06-26 — — US disclosed
US-20170121299-A1 NOVEL ANTICANCER AGENT KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2017-05-04 — — US disclosed
US-20170121299-A1 NOVEL ANTICANCER AGENT KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2017-05-04 — — US disclosed
EP-3153508-A1 NOVEL ANTICANCER AGENT Kyoto Pharmaceutical Industries, Ltd. (JP) 2017-04-12 — — EP disclosed
WO-2015190489-A1 NOVEL ANTICANCER AGENT 京都薬品工業株式会社 2015-12-17 — — WO 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 (7 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-20170121299-A1 NOVEL ANTICANCER AGENT NTPCR, TP53, NME1 STAT3 1231/4885ALDH1A1 187/4885SLC1A3 3483/4885
US-20200317630-A1 ANTICANCER AGENT TP53, NTPCR, NQO1 STAT3 1303/4885ALDH1A1 160/4885SLC1A3 2910/4885
US-10005752-B2 Anticancer agent TP53, NTPCR, NQO1 STAT3 1303/4885ALDH1A1 160/4885SLC1A3 2910/4885
US-11267797-B2 Anticancer agent TP53, NTPCR, NQO1 STAT3 1303/4885ALDH1A1 160/4885SLC1A3 2910/4885
US-20190322636-A1 NOVEL ANTICANCER AGENT NTPCR, TP53, NME1 STAT3 1231/4885ALDH1A1 187/4885SLC1A3 3483/4885
US-10689355-B2 Anticancer agent TP53, NTPCR, NQO1 STAT3 1303/4885ALDH1A1 160/4885SLC1A3 2910/4885
US-10377730-B2 Anticancer agent TP53, NTPCR, NQO1 STAT3 1303/4885ALDH1A1 160/4885SLC1A3 2910/4885

“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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