SCHEMBL4704005

SCHEMBL4704005

COC(=O)N(C)CCCC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.42
▸ EPHX2 P34913 5/20 0.40
▸ LMNA P02545 3/20 0.40
▸ SLC22A6 Q4U2R8 1/20 0.40
▸ KDM4C Q9H3R0 4/20 0.40
▸ KDM5A P29375 2/20 0.40
▸ NFKB1 P19838 2/20 0.39
▸ PMP22 Q01453 1/20 0.39
▸ AKR1B1 P15121 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ KDM4A O75164 3/20 0.38
▸ KDM7A Q6ZMT4 1/20 0.38
▸ PHF8 Q9UPP1 1/20 0.38
▸ KDM2A Q9Y2K7 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
SCHEMBL4699893 0.94 TSHR (0.47) TSHRALDH1A1EPHX2LMNAKDM4C
SCHEMBL4700836 0.92 EPHX2 (0.49) TSHRALDH1A1EPHX2LMNAKDM4C
SCHEMBL9575098 0.89 TSHR (0.43) TSHRALDH1A1LMNAKDM4CKDM5A
SCHEMBL14379958 0.83 PAOX (0.43) TSHRALDH1A1LMNA
SCHEMBL8381207 0.83 LMNA (0.38) TSHRLMNA
SCHEMBL8381205 0.82 LMNA (0.37) TSHRLMNA
SCHEMBL10906138 0.80 TSHR (0.45) TSHRALDH1A1LMNASLC22A6KDM4C
SCHEMBL14707175 0.79 MEN1 (0.42) TSHRALDH1A1LMNA
SCHEMBL693386 0.79 HDAC6 (0.40) TSHRALDH1A1EPHX2LMNASLC22A6
SCHEMBL22282294 0.78 LMNA (0.40) TSHRALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114380717-A Process for the preparation of 3- (tert-butoxycarbonyl-methoxycarbonylmethyl-amino) -propionic acid methyl ester and intermediates thereof 郑州猫眼农业科技有限公司 2022-04-22 — — CN disclosed
CN-114380717-A Process for the preparation of 3- (tert-butoxycarbonyl-methoxycarbonylmethyl-amino) -propionic acid methyl ester and intermediates thereof 郑州猫眼农业科技有限公司 2022-04-22 — — CN disclosed
EP-3541857-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS Basell Poliolefine Italia S.r.l. (IT) 2019-09-25 — — EP disclosed
WO-2018091375-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2018-05-24 — — WO disclosed
EP-2601188-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-18 — — EP disclosed
EP-1599471-B1 HYDROXYMETHYL SUBSTITUTED DIHYDROISOXAZOLE DERIVATIVES USEFUL AS ANTIBIOTIC AGENTS ASTRAZENECA AB (SE) 2008-05-28 — — EP disclosed
US-7192974-B2 Hydroxymethyl substituted dihydroisoxazole derivatives useful as antibiotic agents ASTRAZENECA AB (SE) 2007-03-20 — — US disclosed
US-20060270637-A1 Hydroxymethyl substituted dihydroisoxazole derivatives useful as antibiotic agents ASTRAZENECA AB (SE) 2006-11-30 — — US disclosed
EP-1599471-A1 HYDROXYMETHYL SUBSTITUTED DIHYDROISOXAZOLE DERIVATIVES USEFUL AS ANTIBIOTIC AGENTS Astrazeneca AB (SE) 2005-11-30 — — EP disclosed
WO-2004078753-A1 HYDROXYMETHYL SUBSTITUTED DIHYDROISOXAZOLE DERIVATIVES USEFUL AS ANTIBIOTIC AGENTS ASTRAZENECA AB (SE) 2004-09-16 — — 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 (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-20060270637-A1 Hydroxymethyl substituted dihydroisoxazole derivatives useful as antibiotic agents RPS7, CYP3A7, CYP2A7 TSHR 1044/4885ALDH1A1 421/4885EPHX2 1851/4885

“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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