SCHEMBL15660787

SCHEMBL15660787

CCCCCCCCCCCCNC(=O)[C@@H](NC(=O)c1cccs1)[C@@H](C)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.57
▸ HDAC11 Q96DB2 1/20 0.57
▸ HDAC8 Q9BY41 1/20 0.57
▸ HDAC6 Q9UBN7 1/20 0.57
▸ HDAC3 O15379 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ HSPA5 P11021 5/20 0.49
▸ HSPA2 P54652 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ TSHR P16473 2/20 0.48
▸ GLA P06280 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ HSPA9 P38646 1/20 0.47
▸ NAAA Q02083 2/20 0.47
▸ GAA P10253 2/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46

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
SCHEMBL16421901 1.00 HDAC1 (0.57) HDAC1HDAC11HDAC8HDAC6HDAC3
SCHEMBL15677530 1.00 HDAC1 (0.57) HDAC1HDAC11HDAC8HDAC6HDAC3
SCHEMBL15660294 1.00 HDAC1 (0.57) HDAC1HDAC11HDAC8HDAC6HDAC3
SCHEMBL15660391 1.00 HDAC1 (0.57) HDAC1HDAC11HDAC8HDAC6HDAC3
SCHEMBL16421898 1.00 HDAC1 (0.57) HDAC1HDAC11HDAC8HDAC6HDAC3
SCHEMBL16421900 1.00 HDAC1 (0.57) HDAC1HDAC11HDAC8HDAC6HDAC3
SCHEMBL15661633 0.86 HDAC1 (0.57) HDAC1HDAC11HDAC8HDAC6HDAC3
SCHEMBL15661187 0.86 HDAC1 (0.57) HDAC1HDAC11HDAC8HDAC6HDAC3
SCHEMBL6928579 0.81 KDM4E (0.76) HDAC1HDAC11HDAC8HDAC6HDAC3
SCHEMBL15660766 0.81 NAAA (0.63) HDAC3HTTL3MBTL1NAAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150031892-A1 SPHINGOLIPID METABOLITE MIMETICS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2015-01-29 — — US claimed
US-20150031892-A1 SPHINGOLIPID METABOLITE MIMETICS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2015-01-29 — — US disclosed
US-20150031892-A1 SPHINGOLIPID METABOLITE MIMETICS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2015-01-29 — — US disclosed
WO-2014066613-A2 SPHINGOLIPID METABOLITE MIMETICS ZHEJIANG UNIVERSITY (CN) 2014-05-01 — — WO disclosed
WO-2014066613-A2 SPHINGOLIPID METABOLITE MIMETICS ZHEJIANG UNIVERSITY (CN) 2014-05-01 — — WO disclosed
US-20110105603-A1 COMPOSITIONS AND METHODS FOR TREATING BETA-AMYLOID RELATED DISEASES AMERICAN LIFE SCIENCE PHARMACEUTICALS, INC. (US) 2011-05-05 — — 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 (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-20110105603-A1 COMPOSITIONS AND METHODS FOR TREATING BETA-AMYLOID RELATED DISEASES APP, BACE1, PTMS HDAC1 4809/4885HDAC11 4766/4885HDAC8 4845/4885
US-20150031892-A1 SPHINGOLIPID METABOLITE MIMETICS BID, BAD, S1PR1 HDAC1 3089/4885HDAC11 2875/4885HDAC8 1955/4885

“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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