SCHEMBL2861341

SCHEMBL2861341

CC(C)(C)OC(=O)COc1ccc(Cc2ccc(C(=O)Cl)s2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.47
TDP1 Q9NUW8 1/20 0.39
PSEN1 P49768 3/20 0.38
PSEN2 P49810 3/20 0.38
APH1B Q8WW43 3/20 0.38
NCSTN Q92542 3/20 0.38
APH1A Q96BI3 3/20 0.38
PSENEN Q9NZ42 3/20 0.38
NR1D1 P20393 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL2863521 0.81 MEN1 (0.40) TDP1MEN1KMT2ARAB9AMAPT
SCHEMBL2864616 0.81 POLB (0.46) TDP1NPC1RAB9AGAAL3MBTL1
SCHEMBL198467 0.80 PTPN1 (0.60) PTPN1PSEN1PSEN2APH1BNCSTN
SCHEMBL2864886 0.79 KDM4E (0.49) HDAC6LMNATP53SMN1; SMN2
SCHEMBL2867918 0.76 TP53 (0.48) HDAC6TP53SMN1; SMN2
SCHEMBL2863556 0.76 TP53 (0.48) HDAC6TP53SMN1; SMN2
SCHEMBL7768560 0.75 PTPN1 (0.55) PTPN1PSEN1PSEN2APH1BNCSTN
SCHEMBL2865230 0.75 NR4A2 (0.52) MEN1KMT2ANPC1HDAC6LMNA
SCHEMBL3186678 0.75 PTPN1 (0.51) PTPN1TDP1PSEN1PSEN2APH1B
SCHEMBL1964131 0.75 PSEN1 (0.46) PTPN1PSEN1PSEN2APH1BNCSTN

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691898-B2 Phosphonic acid derivatives and the treating agents of diseases related hyperphosphatemia KOTOBUKI PHARMACEUTICAL CO., LTD. (JP) 2010-04-06 US disclosed
US-20080119441-A1 Phosphonic Acid Derivatives and the Treating Agents of Diseases Related Hyperphosphatemia KOTOBUKI PHARMACEUTICAL CO., LTD. (JP) 2008-05-22 US disclosed
EP-1813620-A1 PHOSPHONIC ACID DERIVATIVE AND THERAPEUTIC AGENT FOR DISEASE IN WHICH HIGH PHOSPHATE LEVEL IN BLOOD PARTICIPATES Kotobuki Pharmaceutical Co., Ltd. (JP) 2007-08-01 EP 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-20080119441-A1 Phosphonic Acid Derivatives and the Treating Agents of Diseases Related Hyperphosphatemia NR0B1, NR0B2, PTH1R PTPN1 619/4885TDP1 4520/4885PSEN1 304/4885

“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.