SCHEMBL15099754

SCHEMBL15099754

CCOC(=O)[C@@H](OC(C)(C)C)c1c(OS(=O)(=O)C(F)(F)F)c2ccccc2c2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ATM Q13315 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
ADORA3 P0DMS8 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
POLB P06746 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PIN1 Q13526 1/20 0.33
ALDH1A1 P00352 2/20 0.33
CXCR2 P25025 2/20 0.33
HSD11B1 P28845 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL15099627 0.91 HTT (0.37) HTTMAPTSMN1; SMN2HSD17B10ATM
SCHEMBL10271806 0.89 HTT (0.36) HTTMAPTSMN1; SMN2HSD17B10ATM
SCHEMBL1699546 0.89 HTT (0.36) HTTMAPTSMN1; SMN2HSD17B10ATM
SCHEMBL15165315 0.89 MAPT (0.35) HTTMAPTSMN1; SMN2HSD17B10ATM
SCHEMBL1699726 0.89 MAPT (0.35) HTTMAPTSMN1; SMN2HSD17B10ATM
SCHEMBL10271600 0.89 HTT (0.35) HTTMAPTSMN1; SMN2HSD17B10ATM
SCHEMBL10271807 0.88 MAPT (0.35) HTTMAPTSMN1; SMN2HSD17B10ATM
SCHEMBL15099642 0.88 HTT (0.35) HTTMAPTSMN1; SMN2HSD17B10ATM
SCHEMBL15093729 0.87 CXCR2 (0.36) CXCR2HSD11B1KDM4ECXCR1PER2
SCHEMBL10271716 0.86 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.