SCHEMBL15099642

SCHEMBL15099642

CCOC(=O)[C@@H](OC(C)(C)C)c1c(CBr)c(CBr)c2ccccc2c1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PLK1 P53350 1/20 0.34
ATM Q13315 1/20 0.32
KMT2A Q03164 2/20 0.31
LMNA P02545 1/20 0.31
MEN1 O00255 1/20 0.31
TSHR P16473 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
POLB P06746 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ALDH1A1 P00352 1/20 0.30
PIN1 Q13526 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
SCHEMBL15093249 0.90 CXCR2 (0.32)
SCHEMBL15099754 0.88 HTT (0.38) HTTMAPTSMN1; SMN2HSD17B10ATM
SCHEMBL15099627 0.86 HTT (0.37) HTTMAPTSMN1; SMN2HSD17B10ATM
SCHEMBL15165315 0.85 MAPT (0.35) HTTMAPTSMN1; SMN2HSD17B10ATM
SCHEMBL1699726 0.85 MAPT (0.35) HTTMAPTSMN1; SMN2HSD17B10ATM
SCHEMBL10271806 0.84 HTT (0.36) HTTMAPTSMN1; SMN2HSD17B10ATM
SCHEMBL1699546 0.84 HTT (0.36) HTTMAPTSMN1; SMN2HSD17B10ATM
SCHEMBL10271600 0.83 HTT (0.35) HTTMAPTSMN1; SMN2HSD17B10ATM
SCHEMBL10271807 0.82 MAPT (0.35) HTTMAPTSMN1; SMN2HSD17B10ATM
SCHEMBL10271716 0.81 HSD17B10 (0.35) HTTMAPTSMN1; SMN2HSD17B10ATM

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 HTT 1606/4885MAPT 671/4885SMN1; SMN2 2614/4885

“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.