SCHEMBL16657253

SCHEMBL16657253

CCOC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2c(C)cccc2c1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.33
HSD17B10 Q99714 2/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CCR6 P51684 1/20 0.32
NPSR1 Q6W5P4 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ATM Q13315 1/20 0.30
CXCR2 P25025 1/20 0.30
MAPK1 P28482 2/20 0.30
KMT2A Q03164 2/20 0.30
TP53 P04637 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
BCL2A1 Q16548 1/20 0.30
TLR9 Q9NR96 1/20 0.30
LMNA P02545 1/20 0.30
MEN1 O00255 1/20 0.30
TSHR P16473 1/20 0.30
CES2 O00748 1/20 0.30

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
SCHEMBL15099684 0.91 MAPT (0.32) MAPTHSD17B10HTTSMN1; SMN2
SCHEMBL15093185 0.90 PSIP1 (0.33) CXCR2KMT2AMEN1
SCHEMBL15099683 0.90 HPGD (0.32) MAPTHSD17B10HTTATMKMT2A
SCHEMBL1699706 0.88 HSD17B10 (0.35) MAPTHSD17B10HTTSMN1; SMN2CCR6
SCHEMBL10271716 0.88 HSD17B10 (0.35) MAPTHSD17B10HTTSMN1; SMN2CCR6
SCHEMBL15099754 0.86 HTT (0.38) MAPTHSD17B10HTTSMN1; SMN2NPSR1
SCHEMBL15099759 0.85 ALDH1A1 (0.31)
SCHEMBL15099627 0.85 HTT (0.37) MAPTHSD17B10HTTSMN1; SMN2NPSR1
SCHEMBL15099727 0.83
SCHEMBL15099649 0.83 MAPT (0.32) MAPTHSD17B10HTTSMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9284323-B2 Naphthalene acetic acid derivatives against HIV infection GILEAD SCIENCES, INC. (US) 2016-03-15 US disclosed
US-20150111891-A1 NAPHTHALENE ACETIC ACID DERIVATIVES AGAINST HIV INFECTION GILEAD SCIENCES, INC. (US) 2015-04-23 US disclosed
US-20150111891-A1 NAPHTHALENE ACETIC ACID DERIVATIVES AGAINST HIV INFECTION GILEAD SCIENCES, INC. (US) 2015-04-23 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 (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-20150111891-A1 NAPHTHALENE ACETIC ACID DERIVATIVES AGAINST HIV INFECTION NFATC1, ACIN1, NAAA MAPT 671/4885HSD17B10 268/4885HTT 1606/4885

“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.