SCHEMBL16335302

SCHEMBL16335302

COC(=O)c1ccc(C(C)=O)c2c1CCCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK4 Q16654 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
ALDH1A1 P00352 8/20 0.41
KDM4E B2RXH2 5/20 0.41
HPGD P15428 5/20 0.41
HSD17B10 Q99714 4/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
SLC6A2 P23975 3/20 0.41
SLC6A4 P31645 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL16335823 0.96 SLC6A3 (0.47) SLC6A3CA12CA1CA2CA7
SCHEMBL20956451 0.84 CA12 (0.49) SLC6A3CA12CA1CA2CA7
SCHEMBL5753898 0.82 SLC6A3 (0.43) SLC6A3CA12CA1CA2CA7
SCHEMBL5753520 0.82 KDM4E (0.50) SLC6A3CA12CA1CA2CA7
SCHEMBL29054652 0.82 SMN1; SMN2 (0.45) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL19125964 0.81 RXRA (0.42) SLC6A3CA12CA1CA2CA7
SCHEMBL3427457 0.80 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL18397725 0.79 SLC6A3 (0.40) SLC6A3CA12CA1CA2CA7
SCHEMBL38659191 0.79 KDM4E (0.49) SLC6A3CA12CA1CA2CA7
SCHEMBL38658367 0.79 KDM4E (0.49) SLC6A3CA12CA1CA2CA7

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
CN-106459019-B Oxazoline compounds 巴斯夫欧洲公司 2020-01-17 CN disclosed
US-10226045-B2 Azoline compounds BASF SE (DE) 2019-03-12 US disclosed
EP-3110811-B1 AZOLINE COMPOUNDS BASF SE (DE) 2018-11-07 EP disclosed
US-20180235226-A1 AZOLINE COMPOUNDS BASF SE (DE) 2018-08-23 US disclosed
US-9968087-B2 Azoline compounds BASF SE (DE) 2018-05-15 US disclosed
EP-3110811-A1 AZOLINE COMPOUNDS BASF SE (DE) 2017-01-04 EP disclosed
US-20160366887-A1 AZOLINE COMPOUNDS BASF SE (DE) 2016-12-22 US disclosed
US-20160145223-A1 Bicyclyl-Substituted Isothiazoline Compounds BASF SE (DE) 2016-05-26 US disclosed
EP-3013820-A1 BICYCLYL-SUBSTITUTED ISOTHIAZOLINE COMPOUNDS BASF SE (DE) 2016-05-04 EP disclosed
WO-2015128358-A1 AZOLINE COMPOUNDS BASF SE (DE) 2015-09-03 WO disclosed
WO-2014206910-A1 BICYCLYL-SUBSTITUTED ISOTHIAZOLINE COMPOUNDS BASF SE (DE) 2014-12-31 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 (4 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-20160145223-A1 Bicyclyl-Substituted Isothiazoline Compounds BROX, TUBA3C, SYMPK SLC6A3 3066/4885CA12 3805/4885CA1 2116/4885
US-10226045-B2 Azoline compounds CCNB2, CCNB1, CYP1B1 SLC6A3 4309/4885CA12 1928/4885CA1 1375/4885
US-20160366887-A1 AZOLINE COMPOUNDS CCNB2, CCNB1, CYP1B1 SLC6A3 4309/4885CA12 1928/4885CA1 1375/4885
US-20180235226-A1 AZOLINE COMPOUNDS CCNB2, CCNB1, CYP1B1 SLC6A3 4309/4885CA12 1928/4885CA1 1375/4885

“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.