SCHEMBL17723355

SCHEMBL17723355

CC(C)c1ccc(N[C@@H](C)c2ccc(O)cc2)nn1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK2 P49137 1/20 0.40
▸ ESR1 P03372 4/20 0.38
▸ ESR2 Q92731 4/20 0.38
▸ PDCD1 Q15116 1/20 0.38
▸ CD274 Q9NZQ7 1/20 0.38
▸ ENPP2 Q13822 1/20 0.38
▸ EGFR P00533 8/20 0.36
▸ DEGS1 O15121 1/20 0.35
▸ HDAC4 P56524 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL17723382 0.84 ENPP2 (0.48) ENPP2HDAC4HDAC1HDAC6
SCHEMBL20021789 0.80 HDAC4 (0.44) EGFRHDAC4HDAC1HDAC6
SCHEMBL17723367 0.76 PDPK1 (0.38) EGFRHDAC4HDAC1HDAC6
SCHEMBL17723372 0.75 EGFR (0.44) MAPKAPK2ESR1ESR2PDCD1CD274
SCHEMBL17723397 0.75 EGFR (0.44) MAPKAPK2ESR1ESR2PDCD1CD274
SCHEMBL17723306 0.69 JAK2 (0.33) —
SCHEMBL5951002 0.67 CHRNA7 (0.37) —
SCHEMBL17723359 0.67 ATP1A1 (0.43) ENPP2
SCHEMBL17723351 0.67 PSEN1 (0.43) ENPP2EGFRHDAC6
SCHEMBL17723304 0.66 ALK (0.39) HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11117884-B2 Potent gamma-secretase modulators THE GENERAL HOSPITAL CORPORATION (US) 2021-09-14 — — US disclosed
US-20200055840-A1 POTENT GAMMA-SECRETASE MODULATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-02-20 — — US disclosed
US-10472346-B2 Potent gamma-secretase modulators THE GENERAL HOSPITAL CORPORATION (US) 2019-11-12 — — US disclosed
US-20180093967-A1 POTENT GAMMA-SECRETASE MODULATORS THE GENERAL HOSPITAL CORPORATION 2018-04-05 — — US disclosed
WO-2016070107-A1 POTENT GAMMA-SECRETASE MODULATORS THE GENERAL HOSPITAL CORPORATION (US) 2016-05-06 — — 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 (4 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-20200055840-A1 POTENT GAMMA-SECRETASE MODULATORS BACE1, BACE2, GSAP MAPKAPK2 1621/4885ESR1 2244/4885ESR2 520/4885
US-10472346-B2 Potent gamma-secretase modulators BACE1, BACE2, APP MAPKAPK2 2811/4885ESR1 2184/4885ESR2 719/4885
US-11117884-B2 Potent gamma-secretase modulators BACE1, BACE2, GSAP MAPKAPK2 1621/4885ESR1 2244/4885ESR2 520/4885
US-20180093967-A1 POTENT GAMMA-SECRETASE MODULATORS BACE1, BACE2, APP MAPKAPK2 2811/4885ESR1 2184/4885ESR2 719/4885

“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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