SCHEMBL15036610

SCHEMBL15036610

N[C@H]1c2ccccc2C[C@H]1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SIGMAR1 Q99720 2/20 0.42
MMP3 P08254 1/20 0.42
MMP8 P22894 1/20 0.42
KDM1A O60341 4/20 0.42
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HTR2A P28223 1/20 0.39
ANPEP P15144 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
EDNRB P24530 1/20 0.37
EDNRA P25101 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL8269273 1.00 MEN1 (0.43) MEN1KMT2ASIGMAR1MMP3MMP8
SCHEMBL540725 1.00 MEN1 (0.43) MEN1KMT2ASIGMAR1MMP3MMP8
SCHEMBL29831499 1.00 MEN1 (0.43) MEN1KMT2ASIGMAR1MMP3MMP8
SCHEMBL29633476 1.00 MEN1 (0.43) MEN1KMT2ASIGMAR1MMP3MMP8
SCHEMBL16150008 1.00 MEN1 (0.43) MEN1KMT2ASIGMAR1MMP3MMP8
SCHEMBL16008920 1.00 MEN1 (0.43) MEN1KMT2ASIGMAR1MMP3MMP8
SCHEMBL6688800 1.00 MEN1 (0.43) MEN1KMT2ASIGMAR1MMP3MMP8
SCHEMBL4283038 0.85 KDM1A (0.42) SIGMAR1KDM1AGAAHTR2AANPEP
SCHEMBL4286040 0.85 KDM1A (0.42) SIGMAR1KDM1AGAAHTR2AANPEP
SCHEMBL19523452 0.84 KDM1A (0.41) SIGMAR1KDM1ATSHRNPSR1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9403763-B2 CD4-mimetic inhibitors of HIV-1 entry and methods of use thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-08-02 US disclosed
US-9403763-B2 CD4-mimetic inhibitors of HIV-1 entry and methods of use thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-08-02 US disclosed
US-9403763-B2 CD4-mimetic inhibitors of HIV-1 entry and methods of use thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-08-02 US disclosed
US-20140350113-A1 CD4-MIMETIC INHIBITORS OF HIV-1 ENTRY AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-11-27 US disclosed
US-20140350113-A1 CD4-MIMETIC INHIBITORS OF HIV-1 ENTRY AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-11-27 US disclosed
US-20140350113-A1 CD4-MIMETIC INHIBITORS OF HIV-1 ENTRY AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-11-27 US disclosed
WO-2013090696-A1 CD4-MIMETIC INHIBITORS OF HIV-1 ENTRY AND METHODS OF USE THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2013-06-20 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-20140350113-A1 CD4-MIMETIC INHIBITORS OF HIV-1 ENTRY AND METHODS OF USE THEREOF CD4, CD14, CCR5 MEN1 4031/4885KMT2A 4731/4885SIGMAR1 2281/4885

“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.