SCHEMBL15099676

SCHEMBL15099676

CCOC(=O)[C@@H](OC(C)(C)C)c1c2c(c3ccccc3c1OS(=O)(=O)C(F)(F)F)CN(C)C2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.34
HSD17B10 Q99714 2/20 0.34
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
PTGER4 P35408 2/20 0.31
ATM Q13315 1/20 0.31
TSHR P16473 2/20 0.31
MAPK1 P28482 1/20 0.31
DRD2 P14416 1/20 0.31
DRD1 P21728 1/20 0.31
DRD4 P21917 1/20 0.31
DRD5 P21918 1/20 0.31
DRD3 P35462 1/20 0.31
KMT2A Q03164 2/20 0.31
LMNA P02545 2/20 0.31
MEN1 O00255 1/20 0.31
ADORA3 P0DMS8 1/20 0.30
PER2 O15055 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
SCHEMBL15094499 0.89 CXCR2 (0.31) PER2CRY1CRY2
SCHEMBL15099754 0.86 HTT (0.38) MAPTHSD17B10HTTSMN1; SMN2ALDH1A1
SCHEMBL15099627 0.84 HTT (0.37) MAPTHSD17B10HTTSMN1; SMN2ALDH1A1
SCHEMBL10271600 0.83 HTT (0.35) MAPTHSD17B10HTTSMN1; SMN2ALDH1A1
SCHEMBL1699546 0.82 HTT (0.36) MAPTHSD17B10HTTSMN1; SMN2ALDH1A1
SCHEMBL10271806 0.82 HTT (0.36) MAPTHSD17B10HTTSMN1; SMN2ALDH1A1
SCHEMBL15165315 0.82 MAPT (0.35) MAPTHSD17B10HTTSMN1; SMN2ALDH1A1
SCHEMBL1699726 0.82 MAPT (0.35) MAPTHSD17B10HTTSMN1; SMN2ALDH1A1
SCHEMBL15099642 0.81 HTT (0.35) MAPTHSD17B10HTTSMN1; SMN2ALDH1A1
SCHEMBL10271807 0.81 MAPT (0.35) MAPTHSD17B10HTTSMN1; SMN2ALDH1A1

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 4 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
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 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.