SCHEMBL17345471

SCHEMBL17345471

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 13/20 0.52
▸ ALDH1A1 P00352 4/20 0.52
▸ CYP1A2 P05177 2/20 0.36
▸ CYP1A1 P04798 1/20 0.36
▸ CYP1B1 Q16678 1/20 0.36
▸ MAPT P10636 3/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ APAF1 O14727 1/20 0.35
▸ MITF O75030 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MEN1 O00255 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ MAOB P27338 1/20 0.33

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
SCHEMBL17345493 0.96 STAT3 (0.50) STAT3ALDH1A1CYP1A2CYP1A1CYP1B1
SCHEMBL17345466 0.96 STAT3 (0.50) STAT3ALDH1A1CYP1A2CYP1A1CYP1B1
SCHEMBL17345465 0.91 STAT3 (0.50) STAT3ALDH1A1CYP1A2CYP1A1CYP1B1
SCHEMBL17345494 0.89 STAT3 (0.48) STAT3ALDH1A1MAPTSMN1; SMN2APAF1
SCHEMBL17345462 0.89 STAT3 (0.48) STAT3ALDH1A1MAPTSMN1; SMN2APAF1
SCHEMBL18807117 0.89 STAT3 (0.50) STAT3ALDH1A1CYP1A2MAPTSMN1; SMN2
SCHEMBL17345495 0.89 STAT3 (0.49) STAT3ALDH1A1MAPTSMN1; SMN2APAF1
SCHEMBL17345498 0.87 STAT3 (0.56) STAT3ALDH1A1MAPTSMN1; SMN2APAF1
SCHEMBL17345513 0.87 STAT3 (0.59) STAT3ALDH1A1MAPTSMN1; SMN2APAF1
SCHEMBL18822677 0.87 STAT3 (0.52) STAT3ALDH1A1CYP1A2CYP1A1CYP1B1

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 187/4885CYP1A2 1916/4885
US-20200317630-A1 ANTICANCER AGENT TP53, NTPCR, NQO1 STAT3 1303/4885ALDH1A1 160/4885CYP1A2 1008/4885
US-10005752-B2 Anticancer agent TP53, NTPCR, NQO1 STAT3 1303/4885ALDH1A1 160/4885CYP1A2 1008/4885
US-11267797-B2 Anticancer agent TP53, NTPCR, NQO1 STAT3 1303/4885ALDH1A1 160/4885CYP1A2 1008/4885
US-20190322636-A1 NOVEL ANTICANCER AGENT NTPCR, TP53, NME1 STAT3 1231/4885ALDH1A1 187/4885CYP1A2 1916/4885
US-10689355-B2 Anticancer agent TP53, NTPCR, NQO1 STAT3 1303/4885ALDH1A1 160/4885CYP1A2 1008/4885
US-10377730-B2 Anticancer agent TP53, NTPCR, NQO1 STAT3 1303/4885ALDH1A1 160/4885CYP1A2 1008/4885

“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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