SCHEMBL17006206

SCHEMBL17006206

COc1c(F)cc(F)cc1CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.46
SELP P16109 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ABL1 P00519 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
RECQL P46063 1/20 0.40
RIN1 Q13671 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
FABP4 P15090 2/20 0.39
FABP5 Q01469 2/20 0.39
FFAR4 Q5NUL3 1/20 0.39
GAA P10253 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CTSA P10619 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL22775602 0.83 HTR2A (0.46) HSD17B10SELPKDM4EABL1POLB
SCHEMBL9886154 0.80 PTGS2 (0.42) POLBALDH1A1TUBB1
SCHEMBL31063801 0.79 HSD17B10 (0.37) HSD17B10SELPKDM4EABL1POLB
SCHEMBL1940273 0.78 MAPT (0.46) POLBMAPTNPSR1ALDH1A1SMN1; SMN2
SCHEMBL2126253 0.77 THRB (0.46) KDM4EPOLBGAAALDH1A1TSHR
SCHEMBL22775461 0.76 HSD17B10 (0.38) HSD17B10SELPKDM4EABL1POLB
SCHEMBL27894270 0.76 CXCL8 (0.53) HSD17B10FABP4FABP5TDP1CXCL8
SCHEMBL869863 0.76 RIPK1 (0.47) HSD17B10TSHRCXCL8AGBL2
SCHEMBL29459925 0.76 RIPK1 (0.47) HSD17B10TSHRCXCL8AGBL2
SCHEMBL7465002 0.75 ALDH1A1 (0.42) POLBMAPTGAANPSR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025072539-A1 AMINO ACID COMPOUNDS WITH NITROGEN LINKERS AND USES THEREOF PLIANT THERAPEUTICS, INC. (US) 2025-04-03 WO disclosed
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
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

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 HSD17B10 3508/4885SELP 2224/4885KDM4E 1988/4885

“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.