SCHEMBL17006136

SCHEMBL17006136

C=CCc1cc(F)ccc1C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.42
PLA2G2A P14555 2/20 0.42
PTPN1 P18031 4/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
PDK2 Q15119 2/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39

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
SCHEMBL13714155 0.88 SLC6A4 (0.41) FFAR4PLA2G2ASLC6A4SLC6A3SMN1; SMN2
SCHEMBL2775033 0.86 FFAR4 (0.43) FFAR4PLA2G2ASLC6A4SLC6A3SMN1; SMN2
SCHEMBL2771317 0.83 CYP46A1 (0.46) SMN1; SMN2KDM4EMEN1HTTKMT2A
SCHEMBL1012810 0.83 GAA (0.57) PTPN1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL5586280 0.83 KDM4E (0.53) SMN1; SMN2KDM4EMEN1KMT2ACA12
SCHEMBL29230369 0.83 CA12 (0.56) PTPN1NPC1KDM4EMEN1KMT2A
SCHEMBL31293520 0.83 NPC1 (0.40) PTPN1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL28305 0.82 KEAP1 (0.46) PTPN1NPC1RAB9AKDM4EMEN1
SCHEMBL12489097 0.82 FFAR4 (0.47) FFAR4PLA2G2ASLC6A4SLC6A3SMN1; SMN2
SCHEMBL21464141 0.82 KDM4E (0.51) FFAR4PTPN1SMN1; SMN2NPC1RAB9A

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
EP-3107918-A1 PYRAZOLOPYRIMIDINE MACROCYCLES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE (NO.5) LIMITED (GB) 2016-12-28 EP disclosed
US-9273067-B2 Pyrazolopyrimidine macrocycles as inhibitors of human immunodeficiency virus replication BRISTOL-MYERS SQUIBB COMPANY (US) 2016-03-01 US disclosed
US-9273067-B2 Pyrazolopyrimidine macrocycles as inhibitors of human immunodeficiency virus replication BRISTOL-MYERS SQUIBB COMPANY (US) 2016-03-01 US disclosed
US-9273067-B2 Pyrazolopyrimidine macrocycles as inhibitors of human immunodeficiency virus replication BRISTOL-MYERS SQUIBB COMPANY (US) 2016-03-01 US disclosed
WO-2015126737-A1 PYRAZOLOPYRIMIDINE MACROCYCLES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2015-08-27 WO disclosed
WO-2015126737-A1 PYRAZOLOPYRIMIDINE MACROCYCLES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2015-08-27 WO disclosed
US-20150232481-A1 Pyrazolopyrimidine Macrocycles as Inhibitors of Human Immunodeficiency Virus Replication VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2015-08-20 US disclosed
US-20150232481-A1 Pyrazolopyrimidine Macrocycles as Inhibitors of Human Immunodeficiency Virus Replication VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2015-08-20 US disclosed
US-20150232481-A1 Pyrazolopyrimidine Macrocycles as Inhibitors of Human Immunodeficiency Virus Replication VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2015-08-20 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 (1 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-20150232481-A1 Pyrazolopyrimidine Macrocycles as Inhibitors of Human Immunodeficiency Virus Replication TYMP, EIF2AK2, MAVS FFAR4 4733/4885PLA2G2A 4125/4885PTPN1 1436/4885

“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.