SCHEMBL6304075

SCHEMBL6304075

CC(=O)OC1CC(F)(F)[C@@H](COC(=O)c2ccccc2)O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
TSHR P16473 3/20 0.42
NPC1 O15118 2/20 0.42
KMT2A Q03164 1/20 0.42
RAB9A P51151 1/20 0.42
CHRNB2 P17787 1/20 0.40
CHRNA5 P30532 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
GAA P10253 2/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PPM1B O75688 1/20 0.38
LMNA P02545 1/20 0.38
ATM Q13315 1/20 0.37
CES2 O00748 1/20 0.37
CARM1 Q86X55 1/20 0.37
PRMT6 Q96LA8 1/20 0.37
CTNNB1 P35222 1/20 0.36

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
SCHEMBL6754469 1.00 ALDH1A1 (0.44) ALDH1A1TSHRNPC1KMT2ARAB9A
SCHEMBL6306816 1.00 ALDH1A1 (0.44) ALDH1A1TSHRNPC1KMT2ARAB9A
SCHEMBL18519947 0.89 ALDH1A1 (0.46) ALDH1A1TSHRNPC1KMT2ARAB9A
SCHEMBL6756565 0.88 ALDH1A1 (0.46) ALDH1A1TSHRNPC1KMT2ARAB9A
SCHEMBL6513254 0.88 ALDH1A1 (0.46) ALDH1A1TSHRNPC1KMT2ARAB9A
SCHEMBL18519944 0.86 ALDH1A1 (0.41) ALDH1A1TSHRNPC1KMT2ARAB9A
SCHEMBL22216702 0.79 ALDH1A1 (0.41) ALDH1A1NPC1KMT2ARAB9ACHRNB2
SCHEMBL21877952 0.78 ALDH1A1 (0.46) ALDH1A1TSHRNPC1KMT2ACHRNB2
SCHEMBL25997355 0.78 ALDH1A1 (0.46) ALDH1A1TSHRNPC1KMT2ACHRNB2
SCHEMBL18490597 0.78 ALDH1A1 (0.46) ALDH1A1TSHRNPC1KMT2ACHRNB2

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-6949522-B2 β-2′- or 3′-halonucleosides PHARMASSET, INC. (US) 2005-09-27 US disclosed
US-20050119286-A1 BETA-2'-OR 3'-HALONUCLEOSIDES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-06-02 US disclosed
EP-1478322-A2 Beta-2'-OR 3'-HALONUCLEOSIDES Pharmasset Limited (BB) 2004-11-24 EP disclosed
WO-2003000200-A2 β-2'-OR 3'-HALONUCLEOSIDES PHARMASSET LTD. (BB) 2003-01-03 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-20050119286-A1 BETA-2'-OR 3'-HALONUCLEOSIDES MKI67, EBP, PCNA ALDH1A1 2973/4885TSHR 4612/4885NPC1 25/4885

“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.