SCHEMBL15913974

SCHEMBL15913974

CCOC(=O)C1CN(C(=O)O)CC(F)(F)C1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
ALDH1A1 P00352 9/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
HPGD P15428 2/20 0.39
NPC1 O15118 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39
HTT P42858 2/20 0.38
POLB P06746 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
SCHEMBL16416945 0.83 SMN1; SMN2 (0.37) ALDH1A1SMN1; SMN2NPC1RAB9APOLB
SCHEMBL14637849 0.79 SMN1; SMN2 (0.47) MAPTALDH1A1MEN1KMT2ACYP3A4
SCHEMBL20722097 0.79 ALDH1A1 (0.51) MAPTALDH1A1MEN1KMT2ACYP3A4
SCHEMBL4092578 0.79 HPGD (0.49) ALDH1A1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL28950942 0.77 CYP2C19 (0.37) MAPTALDH1A1CYP2C19
SCHEMBL422879 0.77 MAPT (0.46) MAPTALDH1A1MEN1KMT2ACYP3A4
SCHEMBL28520780 0.76 HPGD (0.47) ALDH1A1KMT2ASMN1; SMN2HPGDNPC1
SCHEMBL17206206 0.75
SCHEMBL15321764 0.74 DGAT2 (0.35)
SCHEMBL21411461 0.73 ALDH1A1 (0.62) MAPTALDH1A1CYP3A4CYP2D6CYP2C9

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
EP-2734529-B1 BTK INHIBITORS MERCK SHARP & DOHME (US) 2018-09-05 EP disclosed
US-9718828-B2 BTK Inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-01 US disclosed
US-20170008899-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-01-12 US disclosed
US-20140221333-A1 BTK INHIBITORS MERCK SHARP & DOHME B.V. (NL) 2014-08-07 US 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 (2 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-20170008899-A1 BTK INHIBITORS BTK, SYK, ABL1 MAPT 3447/4885ALDH1A1 4429/4885MEN1 3179/4885
US-20140221333-A1 BTK INHIBITORS BTK, SYK, ABL1 MAPT 3646/4885ALDH1A1 4482/4885MEN1 2995/4885

“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.