SCHEMBL106428

SCHEMBL106428

O=C(O)C1(C(=O)Nc2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 6/20 0.50
TSHR P16473 2/20 0.50
TP53 P04637 1/20 0.50
EPHX1 P07099 1/20 0.50
EPHX2 P34913 1/20 0.50
CDK9 P50750 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NAPRT Q6XQN6 1/20 0.47
HSD17B10 Q99714 1/20 0.47
FAAH O00519 1/20 0.45
LMNA P02545 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
THRB P10828 1/20 0.44

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
SCHEMBL13756457 0.92 MEN1 (0.47) SPHK1TSHRTP53EPHX1EPHX2
SCHEMBL9304492 0.92 TSHR (0.54) SPHK1TSHRTP53EPHX1EPHX2
SCHEMBL69703 0.89 PTPN1 (0.53) SPHK1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL138295 0.85 MEN1 (0.51) SPHK1TSHRTP53EPHX1EPHX2
SCHEMBL307975 0.85 SPHK1 (0.55) SPHK1TSHRTP53EPHX1EPHX2
SCHEMBL14817483 0.85 NAPRT (0.53) SPHK1TSHRTP53EPHX1EPHX2
SCHEMBL24444376 0.83 SPHK1 (0.43) SPHK1MEN1KMT2ALMNANPSR1
SCHEMBL105644 0.83 ALDH1A1 (0.48) FAAHALDH1A1HDAC1
SCHEMBL22453144 0.83 MAOA (0.50) EPHX1MEN1KMT2AFAAHLMNA
SCHEMBL10202156 0.83 TSHR (0.48) SPHK1TSHRTP53EPHX1EPHX2

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 256 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105924403-B A kind of ring propane diamide compound with anti-tumor activity and its preparation method and application 西安交通大学 2018-07-17 CN claimed
CN-105924403-A Cyclomalonamide compound with antitumor activity, and preparation method and application thereof 西安交通大学 2016-09-07 CN claimed
CN-105906568-A Cyclopropane diamide compound with antitumor activity and preparation method and application thereof 西安交通大学 2016-08-31 CN claimed
JP-57002272-A None JP disclosed
US-11673897-B2 Compounds for the treatment of kinase-dependent disorders EXELIXIS, INC. (US) 2023-06-13 US disclosed
US-20230150956-A1 MYC INHIBITORS AND USES THEREOF STEMSYNERGY THERAPEUTICS, INC. 2023-05-18 US disclosed
US-20230150956-A1 MYC INHIBITORS AND USES THEREOF STEMSYNERGY THERAPEUTICS, INC. 2023-05-18 US disclosed
US-11542259-B2 Compounds for the treatment of kinase-dependent disorders EXELIXIS, INC. (US) 2023-01-03 US disclosed
US-20220175757-A1 Processes for Preparing Quinoline Compounds and Pharmaceutical Compositions Containing Such Compounds EXELIXIS, INC. 2022-06-09 US disclosed
CN-109879827-B Indazole derivative and application thereof 陕西理工大学 2022-05-31 CN disclosed
EP-3329918-B1 C-MET MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2022-05-25 EP disclosed
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. 2007-01-04 US disclosed
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. 2007-01-04 US disclosed
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. 2007-01-04 US disclosed
EP-1673085-A2 C-MET MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2006-06-28 EP disclosed
WO-2006014325-A2 C-MET MODULATORS AND METHOD OF USE EXELIXIS, INC. (US) 2006-02-09 WO disclosed
WO-2005030140-A2 C-MET MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-04-07 WO disclosed
US-5292937-A Use of malonic acid derivative compounds for retarding plant growth RHONE-POULENC INC. (US) 1994-03-08 US disclosed
US-5123951-A Ethylene response inducing agent and malonic acid derivative RHONE-POULENC NEDERLAND B.V. (NL) 1992-06-23 US disclosed
JP-S572272-A PREPARATION OF N-PHENYLCYCLOPROPANEDICARBOXYLIC ACID IMIDE DERIVATIVE SUMITOMO CHEM CO LTD 1982-01-07 JP 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-20230150956-A1 MYC INHIBITORS AND USES THEREOF MYC, AURKA, AURKC SPHK1 1668/4885TSHR 4277/4885TP53 11/4885
US-11542259-B2 Compounds for the treatment of kinase-dependent disorders ERBB2, MAP3K6, MAP3K1 SPHK1 1139/4885TSHR 1037/4885TP53 1018/4885
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling HGF, MET, FLT1 SPHK1 1254/4885TSHR 396/4885TP53 246/4885
US-20220175757-A1 Processes for Preparing Quinoline Compounds and Pharmaceutical Compositions Containing Such Compounds HAX1, HRH1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 SPHK1 3407/4885TSHR 2328/4885TP53 2633/4885
US-11673897-B2 Compounds for the treatment of kinase-dependent disorders ERBB2, MAP3K6, PRKCH SPHK1 1488/4885TSHR 997/4885TP53 1008/4885

“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.