SCHEMBL7368747

SCHEMBL7368747

COCCOc1ccc(F)cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.44
SLC6A4 P31645 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
USP2 O75604 1/20 0.41
HPGD P15428 3/20 0.40
NOTUM Q6P988 1/20 0.40
HTT P42858 2/20 0.39
KDM4E B2RXH2 5/20 0.39
KMT2A Q03164 2/20 0.39
S1PR4 O95977 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 1/20 0.38
SSTR4 P31391 1/20 0.38
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 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
SCHEMBL21653636 0.92 MRGPRX4 (0.49) MRGPRX4SLC6A4SMN1; SMN2HPGDNOTUM
SCHEMBL21653635 0.86 MRGPRX4 (0.48) MRGPRX4SLC6A4SMN1; SMN2HPGDNOTUM
SCHEMBL23677886 0.86 MRGPRX4 (0.51) MRGPRX4SLC6A4SMN1; SMN2NOTUMKDM4E
SCHEMBL25974302 0.85 FFAR1 (0.46) SLC6A4SMN1; SMN2USP2KDM4ES1PR4
SCHEMBL14409236 0.83 HTR2C (0.49) MRGPRX4SLC6A4USP2NOTUMHTT
SCHEMBL14402360 0.83 HPGD (0.47) SMN1; SMN2USP2HPGDKDM4EKMT2A
SCHEMBL21601443 0.81 ESR1 (0.49) MRGPRX4SLC6A4NOTUMKDM4ERAB9A
SCHEMBL15223509 0.81 ESR1 (0.51) MRGPRX4SLC6A4SMN1; SMN2NOTUMHTT
SCHEMBL10078701 0.81 MRGPRX4 (0.48) MRGPRX4SLC6A4NOTUMKDM4EL3MBTL1
SCHEMBL20224817 0.81 MRGPRX4 (0.44) MRGPRX4SLC6A4SMN1; SMN2HPGDNOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170166582-A1 PYRAZOLE ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. 2017-06-15 US disclosed
US-20170166584-A1 TRIAZOLE ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. 2017-06-15 US disclosed
US-20170166583-A1 ESTER ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. 2017-06-15 US disclosed
CN-1231465-C Biphenylsulfonyl cyanamides, method for the production thereof and use thereof as medicaments AVENTIS PHARMACEUTIC DEUTSCHLA (DE) 2005-12-14 CN disclosed
EP-1053224-B1 BIPHENYLSULFONYL CYANAMIDES, METHOD FOR THE PRODUCTION THEREOF AND THEIR UTILIZATION AS A MEDICAMENT AVENTIS PHARMA GMBH (DE) 2002-08-21 EP disclosed
US-6369069-B1 CARDIOVASCULAR DISORDERS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-04-09 US disclosed
CN-1289321-A Biphenylsulfonyl cyanamides, method for the production thereof and their utilization as a medicament AVENTIS PHARMACEUTIC DEUTSCHLA (DE) 2001-03-28 CN disclosed
EP-1053224-A1 BIPHENYLSULFONYL CYANAMIDES, METHOD FOR THE PRODUCTION THEREOF AND THEIR UTILIZATION AS A MEDICAMENT Aventis Pharma Deutschland GmbH (DE) 2000-11-22 EP disclosed
WO-1999040064-A1 BIPHENYLSULFONYL CYANAMIDES, METHOD FOR THE PRODUCTION THEREOF AND THEIR UTILIZATION AS A MEDICAMENT AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 1999-08-12 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 (3 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-20170166583-A1 ESTER ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 MRGPRX4 4672/4885SLC6A4 4185/4885SMN1; SMN2 4777/4885
US-20170166582-A1 PYRAZOLE ACC INHIBITORS AND USES THEREOF ACACA, ACACB, PC MRGPRX4 4724/4885SLC6A4 4246/4885SMN1; SMN2 4852/4885
US-20170166584-A1 TRIAZOLE ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT1 MRGPRX4 4718/4885SLC6A4 3844/4885SMN1; SMN2 4866/4885

“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.