SCHEMBL16307528

SCHEMBL16307528

CS(=O)(=O)c1ccc(OCCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.72
▸ MEN1 O00255 11/20 0.69
▸ NPY2R P49146 1/20 0.62
▸ PAX8 Q06710 1/20 0.61
▸ CYP2J2 P51589 1/20 0.57
▸ KMT2A Q03164 2/20 0.54

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
SCHEMBL10719616 0.90 KCNH2 (0.58) KCNH2MEN1NPY2RPAX8KMT2A
SCHEMBL16307518 0.89 KCNH2 (0.72) KCNH2MEN1PAX8CYP2J2KMT2A
SCHEMBL16307525 0.89 KCNH2 (0.69) KCNH2MEN1NPY2RPAX8CYP2J2
SCHEMBL10460762 0.86 KCNH2 (0.86) KCNH2MEN1PAX8CYP2J2KMT2A
Fumaric Acid SCHEMBL10555655 0.86 KCNH2 (0.54) KCNH2MEN1NPY2RPAX8KMT2A
SCHEMBL16307521 0.85 KCNH2 (0.66) KCNH2MEN1PAX8CYP2J2
SCHEMBL17023781 0.84 KCNH2 (0.79) KCNH2MEN1PAX8CYP2J2KMT2A
SCHEMBL16291233 0.83 KCNH2 (0.80) KCNH2MEN1PAX8CYP2J2KMT2A
SCHEMBL16307892 0.83 KCNH2 (0.80) KCNH2MEN1PAX8CYP2J2KMT2A
SCHEMBL16307506 0.83 KCNH2 (0.80) KCNH2MEN1PAX8CYP2J2KMT2A

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-9212180-B2 Menin-MLL inhibitors and methods of use thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2015-12-15 — — US disclosed
US-9212180-B2 Menin-MLL inhibitors and methods of use thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2015-12-15 — — US disclosed
US-20140371239-A1 MENIN-MLL INHIBITORS AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-12-18 — — US disclosed
US-20140371239-A1 MENIN-MLL INHIBITORS AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-12-18 — — 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 (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-20140371239-A1 MENIN-MLL INHIBITORS AND METHODS OF USE THEREOF MLLT1, MEN1, BMI1 KCNH2 3751/4885MEN1 2/4885NPY2R 4808/4885

“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.

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