SCHEMBL21853435

SCHEMBL21853435

CC(Oc1cc(Br)ccc1C(=O)O)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
USP2 O75604 1/20 0.41
CYP2C19 P33261 1/20 0.41
GLA P06280 1/20 0.39
DHODH Q02127 8/20 0.39
KCNK2 O95069 1/20 0.38
KCNK10 P57789 1/20 0.38
SLC6A9 P48067 1/20 0.37
CFD P00746 2/20 0.37
MYC P01106 1/20 0.37
NR4A1 P22736 1/20 0.37

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
SCHEMBL29512881 1.00 RORC (0.42) RORCKDM4EALDH1A1HPGDHSD17B10
SCHEMBL20107592 1.00 RORC (0.42) RORCKDM4EALDH1A1HPGDHSD17B10
SCHEMBL28823359 0.87 RORC (0.44) RORCDHODHSLC6A9
SCHEMBL29512911 0.87 RORC (0.44) RORCDHODHSLC6A9
SCHEMBL20107621 0.87 RORC (0.44) RORCDHODHSLC6A9
SCHEMBL30014395 0.86 NR4A2 (0.45) RORCALDH1A1HSD17B10DHODH
SCHEMBL20242123 0.83 ALDH1A1 (0.54) KDM4EALDH1A1HPGDHSD17B10GLA
Ethane SCHEMBL6917971 0.81 ALDH1A1 (0.53) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL20107872 0.81 ALDH1A1 (0.41) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL29816552 0.81 ALDH1A1 (0.41) KDM4EALDH1A1HPGDHSD17B10USP2

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
EP-4100124-A1 HETEROCYCLIC COMPOUNDS AS DIHYDROOROTATE DEHYDROGENASE INHIBITORS Janssen Biotech, Inc. (US) 2022-12-14 EP disclosed
CN-114921391-A 4, 5-Cyclic 1,2, 4-triazolones 拜耳股份有限公司 2022-08-19 CN disclosed
CN-110023302-B 2,4, 5-trisubstituted 1,2, 4-triazolones as DHODH inhibitors 拜耳股份有限公司 2022-07-26 CN disclosed
CN-110248937-B 4, 5-Cyclic 1,2, 4-triazolones 拜耳股份有限公司 2022-03-29 CN disclosed
US-11130745-B2 2,4,5-trisubstituted 1,2,4-triazolones useful as inhibitors of DHODH BAYER AKTIENGELLSCHAFT (DE) 2021-09-28 US disclosed
WO-2021156787-A1 HETEROCYCLIC COMPOUNDS AS DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH, INC. (US) 2021-08-12 WO disclosed
US-20210188805-A9 2,4,5-TRISUBSTITUTED 1,2,4-TRIAZOLONES USEFUL AS INHIBITORS OF DHODH BAYER AKTIENGESELLSCHAFT (DE) 2021-06-24 US disclosed
US-10968216-B2 4,5-annulated 1,2,4-triazolones BAYER AKTIENGESELLSCHAFT (DE) 2021-04-06 US disclosed
US-20200377472-A1 2,4,5-TRISUBSTITUTED 1,2,4-TRIAZOLONES USEFUL AS INHIBITORS OF DHODH BAYER AKTIENGESELLSCHAFT (DE) 2020-12-03 US disclosed
US-20200123129-A1 2,4,5-TRISUBSTITUTED 1,2,4-TRIAZOLONES USEFUL AS INHIBITORS OF DHODH BAYER AKTIENGESELLSCHAFT (DE) 2020-04-23 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 (5 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-11130745-B2 2,4,5-trisubstituted 1,2,4-triazolones useful as inhibitors of DHODH DHODH, DPYD, DHPS RORC 1364/4885KDM4E 1038/4885ALDH1A1 135/4885
US-20200123129-A1 2,4,5-TRISUBSTITUTED 1,2,4-TRIAZOLONES USEFUL AS INHIBITORS OF DHODH DHODH, DPYD, DHPS RORC 1364/4885KDM4E 1038/4885ALDH1A1 135/4885
US-20210188805-A9 2,4,5-TRISUBSTITUTED 1,2,4-TRIAZOLONES USEFUL AS INHIBITORS OF DHODH DHODH, DPYD, DHPS RORC 1364/4885KDM4E 1038/4885ALDH1A1 135/4885
US-20200377472-A1 2,4,5-TRISUBSTITUTED 1,2,4-TRIAZOLONES USEFUL AS INHIBITORS OF DHODH DHODH, DPYD, DHPS RORC 1364/4885KDM4E 1038/4885ALDH1A1 135/4885
US-10968216-B2 4,5-annulated 1,2,4-triazolones CCNA1, CCNT1, CCND2 RORC 866/4885KDM4E 1759/4885ALDH1A1 274/4885

“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.