SCHEMBL861457

SCHEMBL861457

CC(C)NC(=O)CCC(=O)OC(C)C

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
LMNA P02545 2/20 0.47
MEN1 O00255 1/20 0.47
FAAH O00519 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
TSHR P16473 4/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
HTT P42858 1/20 0.36
NLRP1 Q9C000 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
SCHEMBL13290382 0.83 TSHR (0.59) MAPTLMNAMEN1FAAHMAPK1
SCHEMBL5909062 0.82 MEN1 (0.62) MAPTMEN1FAAHMAPK1KMT2A
SCHEMBL72471 0.82 LMNA (0.62) MAPTLMNATSHRALDH1A1SMN1; SMN2
SCHEMBL878351 0.81 MAPT (0.51) MAPTLMNATSHRHTT
SCHEMBL13043728 0.80 MAPT (0.44) MAPTLMNATSHRSMN1; SMN2HTT
SCHEMBL31402602 0.79 LMNA (0.60) MAPTLMNATSHRALDH1A1HTT
SCHEMBL1979159 0.78 TSHR (0.65) MAPTLMNAMEN1KMT2ATSHR
SCHEMBL8236193 0.78 KMT2A (0.53) MAPTLMNAMEN1FAAHMAPK1
SCHEMBL26242694 0.76 MAPT (0.47) MAPTLMNATSHRHPGDSMN1; SMN2
SCHEMBL13815218 0.76 GAA (0.39) MAPTLMNAMEN1FAAHMAPK1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024145398-A1 ANTIBODY DRUG CONJUGATES YALE UNIVERSITY (US) 2024-07-04 WO disclosed
US-20230257587-A1 FLUORENYL CYANINE DYES BIOTIUM, INC. 2023-08-17 US disclosed
US-20230159554-A1 COMPOUND WITH ANTICANCER ACTIVITY KYOWA KIRIN CO., LTD. (JP) 2023-05-25 US disclosed
US-20180156810-A1 FLUORESCENT COMPOUNDS BIOTIUM, INC. 2018-06-07 US disclosed
US-9791450-B2 Fluorescent compounds BIOTIUM, INC. (US) 2017-10-17 US disclosed
US-20170247402-A1 HETEROCYCLE-SUBSTITUTED XANTHENE DYES BIOTIUM, INC. 2017-08-31 US disclosed
US-9579402-B2 Heterocycle-substituted xanthene dyes BIOTIUM, INC. (US) 2017-02-28 US disclosed
US-20160033520-A1 FLUORESCENT COMPOUNDS BIOTIUM, INC. 2016-02-04 US disclosed
US-9097667-B2 Fluorescent compounds BIOTIUM, INC. (US) 2015-08-04 US disclosed
US-9006437-B2 Xanthene dyes comprising a sulfonamide group BIOTIUM, INC. (US) 2015-04-14 US disclosed
US-8436170-B2 Xanthene dyes comprising a sulfonamide group BIOTIUM, INC. (US) 2013-05-07 US disclosed
US-8143302-B2 Methods and compositions for diagnostic and therapeutic targeting of COX-2 VANDERBILT UNIVERSITY (US) 2012-03-27 US disclosed
US-20110136201-A1 HETEROCYCLE-SUBSTITUTED XANTHENE DYES BIOTIUM, INC. (US) 2011-06-09 US disclosed
US-20110097735-A1 FLUORESCENT PYRENE COMPOUNDS BIOTIUM, INC. (US) 2011-04-28 US disclosed
US-20100254910-A1 METHODS AND COMPOSITIONS FOR DIAGNOSTIC AND THERAPEUTIC TARGETING OF COX-2 VANDERBILT UNIVERSITY (US) 2010-10-07 US disclosed
US-20100197030-A1 XANTHENE DYES COMPRISING A SULFONAMIDE GROUP BIOTIUM, INC. (US) 2010-08-05 US disclosed
US-7736624-B2 derivatives of non-steroidal anti-inflammatory drugs that exhibit selective binding to cyclooxygenase-2 (COX-2) and that comprise functional groups allowing them to be used for medical diagnosis and/or as therapeutic agents; tissue-targeted therapy UNIV VANDERBILT (US) 2010-06-15 US disclosed
US-20090305410-A1 FLUORESCENT COMPOUNDS BIOTIUM, INC. (US) 2009-12-10 US disclosed
US-7541454-B2 Compounds and methods for fluorescent labeling EPOCH BIOSCIENCES, INC. (US) 2009-06-02 US disclosed
US-20070292352-A1 derivatives of non-steroidal anti-inflammatory drugs that exhibit selective binding to cyclooxygenase-2 (COX-2) and that comprise functional groups allowing them to be used for medical diagnosis and/or as therapeutic agents; tissue-targeted therapy VANDERBILT UNIVERSITY (US) 2007-12-20 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 (9 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-20110097735-A1 FLUORESCENT PYRENE COMPOUNDS PAH, CYP1A1, PYCR1 MAPT 1563/4885LMNA 86/4885MEN1 2998/4885
US-20100197030-A1 XANTHENE DYES COMPRISING A SULFONAMIDE GROUP XDH, ARSA, STS MAPT 2333/4885LMNA 303/4885MEN1 1823/4885
US-20230257587-A1 FLUORENYL CYANINE DYES FPR3, FPR1, TYR MAPT 1486/4885LMNA 1223/4885MEN1 1931/4885
US-20170247402-A1 HETEROCYCLE-SUBSTITUTED XANTHENE DYES XDH, CCKAR, CCKBR MAPT 2598/4885LMNA 221/4885MEN1 1265/4885
US-20090305410-A1 FLUORESCENT COMPOUNDS MKI67, CD68, CA5B MAPT 924/4885LMNA 539/4885MEN1 1677/4885
US-20230159554-A1 COMPOUND WITH ANTICANCER ACTIVITY TP53, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, RCC2 MAPT 3226/4885LMNA 1695/4885MEN1 41/4885
US-20100254910-A1 METHODS AND COMPOSITIONS FOR DIAGNOSTIC AND THERAPEUTIC TARGETING OF COX-2 PTGS2, PTGES2, PTGER2 MAPT 2607/4885LMNA 2338/4885MEN1 3725/4885
US-20110136201-A1 HETEROCYCLE-SUBSTITUTED XANTHENE DYES XDH, CCKAR, CCKBR MAPT 2598/4885LMNA 221/4885MEN1 1265/4885
US-20070292352-A1 derivatives of non-steroidal anti-inflammatory drugs that exhibit selective binding to cyclooxygenase-2 (COX-2) and that comprise functional groups allowing them to be used for medical diagnosis and/or as therapeutic agents; tissue-targeted therapy PTGES2, PTGS2, PTGER2 MAPT 2603/4885LMNA 3249/4885MEN1 4291/4885

“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.