SCHEMBL15099650

SCHEMBL15099650

CCOC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2cc(Br)ccc2c1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL15093279 1.00 SMN1; SMN2 (0.34) SMN1; SMN2ALDH1A1LMNAL3MBTL1MAPT
SCHEMBL15099649 0.90 MAPT (0.32) SMN1; SMN2L3MBTL1MAPTHTTHSD17B10
SCHEMBL15093787 0.90 MAPT (0.32) SMN1; SMN2L3MBTL1MAPTHTTHSD17B10
SCHEMBL15093492 0.90 PSIP1 (0.34) SMN1; SMN2LMNAL3MBTL1
SCHEMBL15099743 0.89 MAPT (0.31) SMN1; SMN2ALDH1A1LMNAMAPTHTT
SCHEMBL16657254 0.88 CXCR2 (0.34)
SCHEMBL1699706 0.87 HSD17B10 (0.35) SMN1; SMN2ALDH1A1LMNAL3MBTL1MAPT
SCHEMBL10271716 0.87 HSD17B10 (0.35) SMN1; SMN2ALDH1A1LMNAL3MBTL1MAPT
SCHEMBL12506178 0.87
SCHEMBL10271813 0.87

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 SMN1; SMN2 2614/4885ALDH1A1 114/4885LMNA 2505/4885

“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.