SCHEMBL14136269

SCHEMBL14136269

CC(=O)N1N=C(c2ccc(N(C(C)=O)[SH](=O)=O)cc2)CC1c1ccc2c(c1)OCCO2

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 19/20 0.73
▸ NPC1 O15118 1/20 0.64
▸ PKM P14618 1/20 0.64
▸ RAB9A P51151 1/20 0.64
▸ ACHE P22303 1/20 0.63

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
SCHEMBL14133468 0.83 TERT (0.68) TERTNPC1PKMRAB9AACHE
SCHEMBL14057755 0.77 TERT (0.71) TERTNPC1PKMRAB9AACHE
SCHEMBL14058077 0.75 TERT (0.71) TERTNPC1PKMRAB9A
SCHEMBL14058372 0.75 TERT (0.79) TERTNPC1PKMRAB9A
SCHEMBL23052322 0.73 NPC1 (0.74) TERTNPC1PKMRAB9AACHE
SCHEMBL14133465 0.73 NPC1 (0.74) TERTNPC1PKMRAB9AACHE
SCHEMBL14058470 0.73 TERT (0.64) TERTNPC1PKMRAB9AACHE
SCHEMBL1660270 0.71 ACHE (0.92) TERTNPC1PKMRAB9AACHE
SCHEMBL23052151 0.71 ACHE (0.71) TERTNPC1PKMRAB9AACHE
SCHEMBL23052323 0.71 ACHE (0.71) TERTNPC1PKMRAB9AACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120302609-A1 Pyrazolines for the Modulation of PKM2 DYNAMIX PHARMACEUTICALS LTD. (IL) 2012-11-29 — — US disclosed
WO-2012160447-A1 3, 5 -DIPHENYL- SUBSTITUTED PYRAZOLINES FOR THE TREATMENT OF CANCER, PROLIFERATIVE, INFLAMMATORY OR AUTOIMMUNE DISEASES DYNAMIX PHARMACEUTICALS LTD. (IL) 2012-11-29 — — 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-20120302609-A1 Pyrazolines for the Modulation of PKM2 PDK2, PDK4, PDK3 TERT 1927/4885NPC1 3749/4885PKM 5/4885

“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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