SCHEMBL16369652

SCHEMBL16369652

CC(C)Oc1cc(C(=O)O)ccc1N

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 2/20 0.63
BCL2 P10415 1/20 0.58
BCL2L1 Q07817 1/20 0.58
MCL1 Q07820 1/20 0.58
BAK1 Q16611 1/20 0.58
KMT2A Q03164 3/20 0.53
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA4 P22748 1/20 0.49
CA6 P23280 1/20 0.49
CA7 P43166 1/20 0.49
TPMT P51580 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
LMNA P02545 1/20 0.47
RXRA P19793 2/20 0.46
RXRB P28702 2/20 0.46
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 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
SCHEMBL24089198 0.86 EP300 (0.81) EP300BCL2BCL2L1MCL1BAK1
SCHEMBL2411718 0.86 PARP10 (0.56) EP300BCL2BCL2L1MCL1BAK1
SCHEMBL10304691 0.86 KMT2A (0.53) EP300BCL2BCL2L1MCL1BAK1
SCHEMBL3545163 0.84 KMT2A (0.58) EP300KMT2ACA12CA1CA2
SCHEMBL3544032 0.83 MAPT (0.54) EP300BCL2BCL2L1MCL1BAK1
SCHEMBL16369801 0.83 CA12 (0.54) EP300BCL2BCL2L1MCL1BAK1
SCHEMBL13846096 0.83 LMNA (0.47) EP300BCL2BCL2L1MCL1BAK1
SCHEMBL14452820 0.82 EP300 (0.56) EP300BCL2BCL2L1MCL1BAK1
SCHEMBL27747073 0.81 ALDH1A1 (0.56) EP300BCL2L1KMT2ACA12CA1
SCHEMBL11672654 0.81 HTT (0.66) EP300KMT2ACA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116870016-B Heteroaromatic compound and medical application thereof 希格生科(深圳)有限公司 2024-05-28 CN disclosed
CN-117412981-A Phosphine oxide derivative and preparation method and application thereof 希格生科(深圳)有限公司 2024-01-16 CN disclosed
CN-116870016-A Heteroaromatic compound and medical application thereof 希格生科(深圳)有限公司 2023-10-13 CN disclosed
CN-115785154-A Heteroaromatic ring compounds and medical use thereof 希格生科(深圳)有限公司 2023-03-14 CN disclosed
US-11225503-B2 Crystobactamides Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2022-01-18 US disclosed
EP-3224238-B1 NOVEL CYSTOBACTAMIDES HELMHOLTZ ZENTRUM INFEKTIONSFORSCHUNG GMBH (DE) 2021-08-11 EP disclosed
EP-3019615-B1 CYSTOBACTAMIDES HELMHOLTZ ZENTRUM INFEKTIONSFORSCHUNG GMBH (DE) 2021-04-07 EP disclosed
CN-105793424-B Ascomycetes amides 亥姆霍兹感染研究中心有限公司 2021-02-19 CN disclosed
US-20200331964-A1 CYSTOBACTAMIDES HELMHOLTZ ZENTRUM INFEKTIONSFORSCHUNG GMBH (DE) 2020-10-22 US disclosed
US-10793600-B2 Cystobactamides Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2020-10-06 US disclosed
US-10519099-B2 Cystobactamides Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2019-12-31 US disclosed
US-20190185514-A1 CYSTOBACTAMIDES HELMHOLTZ ZENTRUM INFEKTIONSFORSCHUNG GMBH (DE) 2019-06-20 US disclosed
US-20170327458-A1 NOVEL CYSTOBACTAMIDES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2017-11-16 US disclosed
CN-105793424-A Ascomycetes amides 亥姆霍兹感染研究中心有限公司 2016-07-20 CN disclosed
US-20160145304-A1 CYSTOBACTAMIDES HELMHOLTZ-ZENTRUM FUR INFEKTIONSFORSCHUNG GMBH (DE) 2016-05-26 US disclosed
EP-3019615-A2 CYSTOBACTAMIDES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2016-05-18 EP disclosed
WO-2015003816-A2 CYSTOBACTAMIDES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2015-01-15 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-20160145304-A1 CYSTOBACTAMIDES CTH, SLC7A11, CBS EP300 3526/4885BCL2 2186/4885BCL2L1 1794/4885
US-20170327458-A1 NOVEL CYSTOBACTAMIDES SLC7A11, CTH, CBS EP300 4074/4885BCL2 3241/4885BCL2L1 2277/4885
US-11225503-B2 Crystobactamides PKD2, SLC7A11, CTH EP300 4199/4885BCL2 2103/4885BCL2L1 711/4885
US-20190185514-A1 CYSTOBACTAMIDES CTH, SLC7A11, SULT2A1 EP300 3359/4885BCL2 3703/4885BCL2L1 1668/4885
US-10519099-B2 Cystobactamides CTH, TST, CBS EP300 3800/4885BCL2 2317/4885BCL2L1 2136/4885
US-20200331964-A1 CYSTOBACTAMIDES CTH, SLC7A11, SULT2A1 EP300 3416/4885BCL2 3481/4885BCL2L1 1489/4885
US-10793600-B2 Cystobactamides CTH, SLC7A11, SULT2A1 EP300 3514/4885BCL2 3856/4885BCL2L1 1795/4885

“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.