SCHEMBL14100712

SCHEMBL14100712

Cc1ccc2c(c1)CCN(C(=O)C(F)(F)F)C2

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 6/20 0.72
ESR1 P03372 5/20 0.72
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
ABHD6 Q9BV23 3/20 0.49
RIPK1 Q13546 1/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
PKM P14618 1/20 0.46
EP300 Q09472 1/20 0.45
CREBBP Q92793 1/20 0.45
TMPRSS2 O15393 1/20 0.44
PHGDH O43175 1/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
TAS1R2 Q8TE23 1/20 0.44
BTK Q06187 1/20 0.43

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
SCHEMBL8266789 0.94 ESR1 (0.72) ESR2ESR1HDAC8HDAC6ABHD6
SCHEMBL8176145 0.84 ESR2 (1.00) ESR2ESR1HDAC8HDAC6ABHD6
SCHEMBL4171874 0.82 ESR2 (0.64) ESR2ESR1HDAC8HDAC6ABHD6
SCHEMBL29963966 0.82 ESR2 (0.72) ESR2ESR1HDAC8HDAC6ABHD6
SCHEMBL4179872 0.82 ESR2 (0.72) ESR2ESR1HDAC8HDAC6ABHD6
SCHEMBL25206226 0.82 ESR2 (0.76) ESR2ESR1HDAC8HDAC6ABHD6
SCHEMBL3874010 0.82 ESR2 (0.72) ESR2ESR1HDAC8HDAC6ABHD6
SCHEMBL419896 0.82 ESR2 (0.72) ESR2ESR1HDAC8HDAC6ABHD6
SCHEMBL3895230 0.82 ESR1 (1.00) ESR2ESR1HDAC8HDAC6ABHD6
SCHEMBL14569347 0.82 ESR2 (0.67) ESR2ESR1HDAC8HDAC6ABHD6

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-20230227483-A1 PYRIMIDINE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS GLENMARK SPECIALITY S.A. (CH) 2023-07-20 US disclosed
EP-1501803-B1 TETRAHYDROPYRANYL CYCLOPENTYL TETRAHYDROISOQUINOLINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO INC (US) 2008-08-13 EP 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-20230227483-A1 PYRIMIDINE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS MAP4K1, MAP3K4, MAP4K2 ESR2 3632/4885ESR1 4314/4885HDAC8 1639/4885

“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.