SCHEMBL15093290

SCHEMBL15093290

Cc1cc2cc(C#N)ccc2c(OS(=O)(=O)C(F)(F)F)c1C(OC(C)(C)C)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
SLCO1B1 Q9Y6L6 1/20 0.33
PSIP1 O75475 1/20 0.33
NCEH1 Q6PIU2 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31
HSD11B1 P28845 1/20 0.31
BRPF1 P55201 1/20 0.31
AKR1C3 P42330 1/20 0.30
PDK1 Q15118 1/20 0.30
PDK2 Q15119 1/20 0.30
PDK3 Q15120 1/20 0.30
PDK4 Q16654 1/20 0.30
NR3C1 P04150 1/20 0.30
PGR P06401 1/20 0.30
NR3C2 P08235 1/20 0.30
TBXA2R P21731 1/20 0.30
TRPV4 Q9HBA0 1/20 0.30
ACLY P53396 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
SCHEMBL15093194 0.91 PDE4A (0.32) PDE4APDE4CPDE4DNCEH1PTGDR2
SCHEMBL15093777 0.90 PSIP1 (0.32) PSIP1
SCHEMBL15093291 0.87 PSIP1 (0.39) PSIP1HSD11B1
SCHEMBL15093458 0.86 ALDH2 (0.32) PSIP1
SCHEMBL15093492 0.85 PSIP1 (0.34) PSIP1HSD11B1
SCHEMBL15093682 0.85 CYP3A4 (0.36) PDE4APDE4CPDE4DPSIP1HSD11B1
SCHEMBL1699631 0.85 PSIP1 (0.31) PSIP1
SCHEMBL15093539 0.84 KDM4E (0.33) PDE4APDE4CPDE4DPTGDR2NR3C1
SCHEMBL15093701 0.84 CXCR2 (0.36) PSIP1AKR1C3
SCHEMBL1699508 0.84 PSIP1 (0.35) PSIP1

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
WO-2013103738-A1 NAPTHALENE ACETIC ACID DERIVATIVES AGAINST HIV INFECTION GILEAD SCIENCES, INC. (US) 2013-07-11 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 (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 PDE4A 1990/4885PDE4C 2004/4885PDE4D 1980/4885

“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.